SCHEMBL1618591

SCHEMBL1618591

CCC(CC)(CC)C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 6/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 1/20 0.32
FDPS P14324 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10535138 0.85 TSHR (0.33) TSHRALDH1A1TP53CYP4F2CYP4A11
SCHEMBL14453246 0.85 TSHR (0.33) TSHRALDH1A1TP53CYP4F2CYP4A11
SCHEMBL8611874 0.83 TSHR (0.38) TSHRALDH1A1TP53TDP1CYP4F2
SCHEMBL15715822 0.79 FDPS (0.45) TSHRALDH1A1TP53CYP4F2CYP4A11
SCHEMBL15715823 0.79 ALDH1A1 (0.42) TSHRALDH1A1TP53CYP4F2CYP4A11
SCHEMBL13226728 0.79 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL10053393 0.77 CYP4F2 (0.37) TSHRALDH1A1TP53TDP1CYP4F2
SCHEMBL8617817 0.77 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL8613048 0.77 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL18255285 0.77 TDP1 (0.30) TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088668-A Acetylene derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1978-05-09 US claimed
CN-112521310-B 2,2-dimethyl butyronitrile, derivative thereof and synthetic method 河北诚信集团有限公司 2022-12-06 CN disclosed
WO-2022091938-A1 METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, METHOD FOR PRODUCING CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD FOR PRODUCING OLEFIN POLYMER 東邦チタニウム株式会社 2022-05-05 WO disclosed
CN-112521310-A 2, 2-dimethyl butyronitrile, derivative and synthetic method thereof 河北诚信集团有限公司 2021-03-19 CN disclosed
US-9116426-B2 Dye compound, method of producing dipyrromethene metal complex compound, method of producing dye multimer, substituted pyrrole compound, colored curable composition, color filter, method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2015-08-25 US disclosed
US-9116426-B2 Dye compound, method of producing dipyrromethene metal complex compound, method of producing dye multimer, substituted pyrrole compound, colored curable composition, color filter, method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2015-08-25 US disclosed
US-20130137018-A1 DYE COMPOUND, METHOD OF PRODUCING DIPYRROMETHENE METAL COMPLEX COMPOUND, METHOD OF PRODUCING DYE MULTIMER, SUBSTITUTED PYRROLE COMPOUND, COLORED CURABLE COMPOSITION, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2013-05-30 US disclosed
US-20130137018-A1 DYE COMPOUND, METHOD OF PRODUCING DIPYRROMETHENE METAL COMPLEX COMPOUND, METHOD OF PRODUCING DYE MULTIMER, SUBSTITUTED PYRROLE COMPOUND, COLORED CURABLE COMPOSITION, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2013-05-30 US disclosed
WO-2012011391-A1 DYE COMPOUND, METHOD OF PRODUCING DIPYRROMETHENE METAL COMPLEX COMPOUND, METHOD OF PRODUCING DYE MULTIMER, SUBSTITUTED PYRROLE COMPOUND, COLORED CURABLE COMPOSITION, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-01-26 WO disclosed
US-7923110-B2 Metal nanoparticle having a self-assembled monolayer on its surface, and formation of conductive pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-04-12 US disclosed
US-4230688-A FOODS, TOILETRIES WILKINSON SWORD LIMITED (GB) 1980-10-28 US disclosed
US-4220776-A TREATMENT OF RHINOVIRAL INFECTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-02 US disclosed
US-4190586-A α-Acetylenic derivatives of α-amino acids MERRELL TORAUDE ET COMPAGNIE (FR) 1980-02-26 US disclosed
US-4182891-A ENZYME INHIBITORS, IMMUNOSUPPRESSANTS, CONTROL OF NEOPLASTIC GROWTH MERRELL TORAUDE ET COMPAGNIE (FR) 1980-01-08 US disclosed
US-4180509-A ENZYME INHIBITORS, PARKINSON*S DISEASE MERRELL TORAUDE ET COMPAGNIE (FR) 1979-12-25 US disclosed
US-4153679-A IN TOILETRIES, FOODS, BEVERAGES AND TOBACCO PRODUCTS WILKINSON SWORD LIMITED (GB) 1979-05-08 US disclosed
US-4139563-A ENZYME INHIBITORS, ANTIFERTILITY AGENTS, IMMUNOSUPPRESSIVES, ANTITUMOR AGENTS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-02-13 US disclosed
US-4133964-A CEPHALOSPORIN INTERMEDIATES, BACTERICIDES, STIMULANTS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-09 US disclosed
US-4103089-A ANTIHISTAMINES MERRELL TORAUDE ET COMPAGNIE (FR) 1978-07-25 US disclosed
US-4088668-A Acetylene derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1978-05-09 US disclosed