SCHEMBL1704602

SCHEMBL1704602

C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCN(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.66
DNM1 Q05193 1/20 0.51
THRB P10828 2/20 0.49
ALDH1A1 P00352 3/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRM3 P20309 1/20 0.44
CHRNA4 P43681 1/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL8424369 1.00 TSHR (0.66) TSHRDNM1THRBALDH1A1CHRM2
SCHEMBL9806862 0.95 TSHR (0.75) TSHRDNM1THRBALDH1A1CHRM2
SCHEMBL28905711 0.95 TSHR (0.74) TSHRDNM1THRBALDH1A1CHRM2
SCHEMBL427500 0.94 TSHR (0.58) TSHRDNM1THRBALDH1A1CHRM2
SCHEMBL9505548 0.93 TSHR (0.77) TSHRDNM1THRBALDH1A1CHRM2
SCHEMBL10939056 0.93 TSHR (0.77) TSHRDNM1THRBALDH1A1CHRM2
SCHEMBL29139797 0.93 TSHR (0.77) TSHRDNM1THRBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL25265974 0.92 TSHR (0.57) TSHRDNM1THRBALDH1A1CHRM2
SCHEMBL227325 0.92 TSHR (0.57) TSHRDNM1THRBALDH1A1CHRM2
Hexadecane SCHEMBL5163754 0.92 TSHR (0.69) TSHRDNM1THRBALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024187416-A1 Pharmaceutical composition comprising ruxolitinib Zhejiang Qizheng Pharmaceutical Co., Ltd. (CN) 2024-09-19 WO claimed
EP-2793866-B2 BILAYER TABLET COMPRISING BENAZEPRIL HYDROCHLORIDE AND PIMOBENDAN ELANCO TIERGESUNDHEIT AG (CH) 2023-10-25 EP claimed
CN-115624551-A Trimethoprim solid dispersion and composite preparation and preparation method thereof 江苏集萃新型药物制剂技术研究所有限公司 2023-01-20 CN claimed
CN-113876715-A Sofantinib solid dispersion, tablet thereof and preparation method thereof 和记黄埔医药(苏州)有限公司 2022-01-04 CN claimed
EP-3883549-A1 ALCOHOL-RESISTANT DRUG FORMULATIONS Jazz Pharmaceuticals Ireland Limited (IE) 2021-09-29 EP claimed
WO-2016061201-A1 NANOPARTICLES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-04-21 WO claimed
CN-102885811-B Oral preparation containing tebipenem pivoxil NANJING HUAWE MEDICAL TECHNOLOGY DEV CO LTD 2014-05-28 CN claimed
CN-103319668-A Preparation method of butyl methacrylate-dimethylaminoethyl methacrylate block copolymer UNIV CHANGZHOU 2013-09-25 CN claimed
CN-102885811-A Oral preparation containing tebipenem pivoxil NANJING HUWEI MEDICAL TECHNOLOGY DEV CO LTD 2013-01-23 CN claimed
EP-4694869-A1 PHARMACEUTICAL COMPOSITION COMPRISING RUXOLITINIB Zhejiang Kisun Pharmaceutical Co., Ltd. (CN) 2026-02-18 EP disclosed
US-12129476-B2 Methods for measuring the potency of AADC viral vectors VOYAGER THERAPEUTICS, INC. (US) 2024-10-29 US disclosed
WO-2024187416-A1 Pharmaceutical composition comprising ruxolitinib Zhejiang Qizheng Pharmaceutical Co., Ltd. (CN) 2024-09-19 WO disclosed
WO-2024189132-A1 PHARMACEUTICAL COMPOSITION COMPRISING RUXOLITINIB Zhejiang Qizheng Pharmaceutical Co., Ltd. (CN) 2024-09-19 WO disclosed
CN-113876715-B Solid dispersion of soratinib, tablet thereof and preparation method thereof 和记黄埔医药(苏州)有限公司 2023-11-21 CN disclosed
EP-0927787-A2 Ink/Textile combination having improved properties E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-07-07 EP disclosed
EP-0851011-A2 Ink jet inks containing emulsion polymer additives stabilized with structured polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-01 EP disclosed
US-5764262-A PROVIDING PRINTING SUBSTRATE HAVING COATING CONTAINING CROSSLINKABLE THERMOPLASTIC POLYMER, PRINTING INK IMAGE ON COATING, HEATING TO SOFTEN COATING, ENCAPSULATE INK, AND CROSSLINK COATING E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-09 US disclosed
EP-0782931-A1 Receptor sheet for recording by ink-jet E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-09 EP disclosed
EP-0672537-A1 Ink jet recording sheet E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-09-20 EP disclosed
EP-0216295-A2 Positively chargeable toner and developer for developing electrostatic images CANON KABUSHIKI KAISHA (JP) 1987-04-01 EP disclosed