SCHEMBL3453885

SCHEMBL3453885

O=COC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
SRC P12931 1/20 0.34
PGD P52209 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL28150772 0.97 TSHR (0.43) TSHRSRCPGDSLC1A3SLC1A2
SCHEMBL28163286 0.97 TSHR (0.43) TSHRSRCPGDSLC1A3SLC1A2
SCHEMBL27956451 0.83 SLC1A3 (0.36) TSHRSLC1A3SLC1A2SLC1A1CYP2C9
O-Xylene SCHEMBL29084293 0.81 TSHR (0.38) TSHRSRCTP53
SCHEMBL9609679 0.79 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL2616762 0.79 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL9609680 0.79 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL17693480 0.79 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL10002061 0.79 TSHR (0.45) TSHRPGDCYP2C9PDE4ATP53
SCHEMBL15526613 0.77 TP53 (0.41) TSHRSLC1A3SLC1A2SLC1A1TP53

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484081-A A kind of oily sludge is non-burning brick and preparation method thereof 宁波纯恒固废科技有限公司 2018-09-04 CN claimed
CN-104557572-B Levalbuterol intermediate and levalbuterol hydrochloride synthesis method 上海默学医药科技有限公司 2017-02-22 CN claimed
CN-109810047-A (R) synthetic method of the chiral intermediate of -3- Phenylpiperidine or/and (S) -3- Phenylpiperidine and Ni Lapani 上海博邦医药科技有限公司 2019-05-28 CN disclosed
CN-106432199-B A kind of preparation process of optical voidness Ondansetron and its salt derivative 南昌市博泽康医药科技有限公司 2019-04-26 CN disclosed
CN-108815034-A A kind of cosmetic composition of careful pore 佛山文森特知识产权服务有限公司 2018-11-16 CN disclosed
CN-108802273-A A kind of L-(-)The detection method of dibenzoyl tartaric acid 濮阳天健生物科技有限公司 2018-11-13 CN disclosed
CN-106432199-A Preparation process of optically pure ondansetron and its derivative salts 南昌市博泽康医药科技有限公司 2017-02-22 CN disclosed
CN-102239153-B As the amide compound of antivirotic promoter JANSSEN R&D IRELAND (IE) 2016-05-11 CN disclosed
US-20130074736-A1 Chemical Admixtures for Hydraulic Cements GILL IQBAL (US) 2013-03-28 US disclosed
WO-2010111844-A1 THE METHOD OF PREPARING OPTICALLY PURE SIBUTRAMINE AND ITS DERIVATIVE SALTS 广州辉宏生物医药科技有限公司 (CN) 2010-10-07 WO disclosed
US-5584944-A FRICTION RESISTANCE; LOW TEMPERATURE DRYING; BEVERAGE CONTAINERS HENKEL CORPORATION (US) 1996-12-17 US disclosed
US-5486316-A Aqueous lubricant and surface conditioner for formed metal surfaces HENKEL CORPORATION (US) 1996-01-23 US disclosed
US-5476601-A Additive consists of quaternary ammonium salt and amine oxide, complex fluoride ions, optionally phosphate ions including sulfate and nitrate ions, aluminate anion and aluminum cation, water solulbe polymer and antifome agent HENKEL CORPORATION (US) 1995-12-19 US disclosed
US-5458698-A Aluminum and tin beverage containers HENKEL CORPORATION (US) 1995-10-17 US disclosed
US-4228033-A USED IN STEAM REFORMING, CATALYTIC CRACKING OR OXIDATION OF HYDROCARBONS OR ALKANOLS OSAKA GAS COMPANY, LIMITED (JP) 1980-10-14 US disclosed
US-4190554-A DECARBONIZATION, DESULFURIZATION OSAKA GAS COMPANY, LTD. (JP) 1980-02-26 US disclosed