SCHEMBL2444490

SCHEMBL2444490

C=[C]CC(CC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 5/20 0.48
TSHR P16473 4/20 0.48
CA2 P00918 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL78111 0.76 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8763250 0.76 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL2069015 0.76 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL15969565 0.76 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL3884493 0.76 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL387001 0.76
SCHEMBL8670893 0.76 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL524297 0.73 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRCA2
Ammonia Solution, Strong SCHEMBL20492542 0.73 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRCA2
Water SCHEMBL9947734 0.73 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105036596-B Low-temperature synthesis polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2017-03-22 CN claimed
CN-106311150-A Preparation method of adsorbent for purification of trimethylolpropane trioleate 王金桢 2017-01-11 CN claimed
CN-117126413-A Shaped phase change material and preparation method thereof 清华大学 2023-11-28 CN disclosed
EP-4271358-A1 SKIN PERFECTING COSMETIC COMPOSITIONS AND METHODS OF USE L'OREAL (FR) 2023-11-08 EP disclosed
US-11643489-B2 (Meth)acrylic copolymer, polymer solution, polymer-containing composition, anti-fouling coating composition, and method for producing (meth)acrylic copolymer MITSUBISHI CHEMICAL CORPORATION (JP) 2023-05-09 US disclosed
CN-115463043-A Oral care composition and mouthwash 克劳丽化妆品股份有限公司 2022-12-13 CN disclosed
WO-2022146701-A1 SKIN PERFECTING COSMETIC COMPOSITIONS AND METHODS OF USE L'OREAL (FR) 2022-07-07 WO disclosed
EP-3997172-A1 THIOL-BASED ADHESIVE FORMULATIONS FOR REPAIRING WINDSHIELDS Mondofix Inc. (CA) 2022-05-18 EP disclosed
US-20220144987-A1 (METH)ACRYLIC COPOLYMER, POLYMER SOLUTION, POLYMER-CONTAINING COMPOSITION, ANTI-FOULING COATING COMPOSITION, AND METHOD FOR PRODUCING (METH)ACRYLIC COPOLYMER MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
WO-2021007658-A1 THIOL-BASED ADHESIVE FORMULATIONS FOR REPAIRING WINDSHIELDS MONDOFIX INC. (CA) 2021-01-21 WO disclosed
CN-110520472-A Aqueous liquid dispersion, water paint and coated article AGC INC 2019-11-29 CN disclosed
US-6645910-B1 Ultraviolet radiation absorber emulsion polymer comprising unsaturated derivatives of 2-hydroxybenzophenone and 2-(2*-hydroxyphenyl)benzotriazole as comonomers; colorless basic leuco dye NIPPON PAPER INDUSTRIES CO. LTD. (JP) 2003-11-11 US disclosed
EP-1303553-A2 RADIATION-CURABLE COMPOSITIONS AND CURED ARTICLES Suncolor Corporation (US) 2003-04-23 EP disclosed
WO-2002006371-A2 RADIATION-CURABLE COMPOSITIONS AND CURED ARTICLES SUNCOLOR CORPORATION (US) 2002-01-24 WO disclosed
EP-1059175-A2 A thermally sensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2000-12-13 EP disclosed
EP-0773977-A1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS AlliedSignal Inc. (US) 1997-05-21 EP disclosed
WO-1996002596-A1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS ALLIEDSIGNAL INC. (US) 1996-02-01 WO disclosed
EP-0324568-B1 Water soluble polymers for detergent compositions ROHM & HAAS (US) 1994-09-07 EP disclosed
US-5187201-A Copolymers of vinyl alcohol and a vinyl alkyl ether modified by alkylene oxide adducts, 6-hydroxycaproic acid and/or a diisocyanate; binder compatibility; smooth surfaces; paints BYK-CHEMIE GMBH (DE) 1993-02-16 US disclosed
EP-0324568-A2 Water soluble polymers for detergent compositions ROHM AND HAAS COMPANY (US) 1989-07-19 EP disclosed