SCHEMBL9747466

SCHEMBL9747466

O=C(O)CC(CO)(CO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 2/20 0.43
TSHR P16473 1/20 0.43
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
ACLY P53396 3/20 0.37
CPT2 P23786 2/20 0.36
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32
LDHA P00338 1/20 0.30
SRR Q9GZT4 1/20 0.30
LMNA P02545 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
SUCNR1 Q9BXA5 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
SCHEMBL13044552 0.94 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C19HIF1ATSHR
SCHEMBL2446996 0.84 ALDH1A1 (0.53) ALDH1A1CYP2D6CYP2C19HIF1ATSHR
SCHEMBL176385 0.81 ALDH1A1 (0.35) ALDH1A1CYP2D6CYP2C19HIF1ATSHR
Cyclohexane SCHEMBL5943434 0.79 CYP2D6 (0.38) ALDH1A1CYP2D6CYP2C19HIF1ATSHR
SCHEMBL1049552 0.78 ALDH1A1 (0.42) ALDH1A1CYP2D6CYP2C19HIF1ATSHR
SCHEMBL18265151 0.78 TSHR (0.35) ALDH1A1CYP2D6CYP2C19HIF1ATSHR
SCHEMBL6394238 0.78 ALDH1A1 (0.33) ALDH1A1CYP2D6CYP2C19HIF1ATSHR
Chloroform SCHEMBL6213016 0.78 CYP2D6 (0.37) ALDH1A1CYP2D6CYP2C19HIF1ATSHR
SCHEMBL28249553 0.76 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP2C19HIF1ATSHR
SCHEMBL833074 0.75 ARG1 (0.32) ALDH1A1TSHRACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805734-B Water-based polyurethane dispersoid and preparation method thereof, and self-crosslinking water-based polyurethane waterproof coating 万华化学集团股份有限公司 2023-05-26 CN claimed
CN-113061227-B Waterproof and moisture permeable waterborne polyurethane resin, and preparation method and application thereof 万华化学集团股份有限公司 2022-09-20 CN claimed
CN-114805734-A Aqueous polyurethane dispersion and preparation method thereof, and self-crosslinking aqueous polyurethane waterproof coating 万华化学集团股份有限公司 2022-07-29 CN claimed
CN-113061227-A Waterproof and moisture permeable waterborne polyurethane resin, and preparation method and application thereof 万华化学集团股份有限公司 2021-07-02 CN claimed
CN-111320927-A Heat-resistant wear-resistant formaldehyde-removing waterborne polyurethane coating and preparation method and application thereof 美瑞新材料股份有限公司 2020-06-23 CN claimed
CN-111073582-A Preparation method of microprism coating adhesive 常州华日升反光材料有限公司 2020-04-28 CN claimed
CN-105820303-A Polyurethane foam used for low-density automobile instrument panel, preparation method and application thereof 延锋汽车饰件系统有限公司 2016-08-03 CN claimed
CN-119432296-A Polyurethane adhesive and preparation method thereof 宜兴市祥业化工有限公司 2025-02-14 CN disclosed
CN-114805734-B Water-based polyurethane dispersoid and preparation method thereof, and self-crosslinking water-based polyurethane waterproof coating 万华化学集团股份有限公司 2023-05-26 CN disclosed
CN-113061227-B Waterproof and moisture permeable waterborne polyurethane resin, and preparation method and application thereof 万华化学集团股份有限公司 2022-09-20 CN disclosed
CN-114805734-A Aqueous polyurethane dispersion and preparation method thereof, and self-crosslinking aqueous polyurethane waterproof coating 万华化学集团股份有限公司 2022-07-29 CN disclosed
CN-113061227-A Waterproof and moisture permeable waterborne polyurethane resin, and preparation method and application thereof 万华化学集团股份有限公司 2021-07-02 CN disclosed
CN-109970960-B Polyether diol and application thereof in aqueous interpenetrating network polymer emulsion 万华化学集团股份有限公司 2021-06-29 CN disclosed
CN-111320927-A Heat-resistant wear-resistant formaldehyde-removing waterborne polyurethane coating and preparation method and application thereof 美瑞新材料股份有限公司 2020-06-23 CN disclosed
CN-111073582-A Preparation method of microprism coating adhesive 常州华日升反光材料有限公司 2020-04-28 CN disclosed
CN-105820303-B Low-density fascia polyurethane foam and its preparation method and application 上海延锋金桥汽车饰件系统有限公司 2018-08-21 CN disclosed
CN-105820303-A Polyurethane foam used for low-density automobile instrument panel, preparation method and application thereof 延锋汽车饰件系统有限公司 2016-08-03 CN disclosed
EP-0332216-B1 NOVEL SUBSTANCE FOR AGRICULTURAL USE AND PROCESS FOR ITS PRODUCTION Kaken Pharmaceutical Co., Ltd. (JP) 1992-11-25 EP disclosed
US-4617528-A Compact combiner for use with semiconductor devices in the microwave frequency range THOMSON CSF (FR) 1986-10-14 US disclosed
US-4581056-A Synergistic senescence delaying foliar fertilizer composition and method of using same to delay senescence in field crops THE BOARD OF REGENTS OF UNIVERSITY OF MICHIGAN, CORP. OF MICHIGAN (US) 1986-04-08 US disclosed