SCHEMBL42639

SCHEMBL42639

COC(C)(C)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 3/20 0.61
ALOX15 P16050 1/20 0.61
CES1 P23141 1/20 0.43
KCNN4 O15554 4/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
CA4 P22748 1/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL27888421 0.95 MAPK1 (0.61) MAPK1ALDH1A1ALOX15CES1KCNN4
SCHEMBL10581655 0.85 MAPK1 (0.50) MAPK1ALDH1A1ALOX15TAAR1CYP3A4
SCHEMBL43313 0.85 MAPK1 (0.46) MAPK1ALDH1A1ALOX15ESR1ESR2
SCHEMBL44954 0.81 MAPK1 (0.44) MAPK1ALDH1A1ALOX15CES1KCNN4
Benzene SCHEMBL25312146 0.80 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KCNN4TAAR1
SCHEMBL960581 0.80 MAPK1 (0.70) MAPK1ALDH1A1ALOX15KCNN4TAAR1
SCHEMBL27506519 0.80 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KCNN4TAAR1
SCHEMBL8939342 0.80 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KCNN4TAAR1
SCHEMBL15450 0.80 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KCNN4TAAR1
SCHEMBL9508370 0.79 MAPK1 (0.76) MAPK1ALDH1A1ALOX15CES1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085149-A Comb-shaped special elastomer with excellent damping performance and preparation method thereof 北京石油化工学院 2024-05-28 CN claimed
CN-117887093-A Macromolecular branching agent, star-branched polymer and preparation method and application thereof 浙江信汇新材料股份有限公司 2024-04-16 CN claimed
CN-114395064-B Preparation method for increasing polymerization temperature of polyisomonoolefin elastomer or molecular weight of elastomer 北京石油化工学院 2024-03-15 CN claimed
CN-117343223-A Branched halogenated polyisobutenyl elastomer and preparation method and application thereof 北京石油化工学院 2024-01-05 CN claimed
CN-117304378-A Polymerization method and polymerization system of isobutene solution 浙江信汇新材料股份有限公司 2023-12-29 CN claimed
CN-116425930-A Poly (isomonoolefin) copolymer, initiator system and application 北京石油化工学院 2023-07-14 CN claimed
CN-116162188-A Isobutene polymerization initiation system composition, polymerization method and application 浙江信汇新材料股份有限公司 2023-05-26 CN claimed
CN-115725010-A Preparation method of polyisobutylene with medium and high molecular weights, initiation system and application thereof 浙江信汇新材料股份有限公司 2023-03-03 CN claimed
CN-111171197-B Method for preparing high-activity polyisobutylene by using bifunctional initiator and application 北京石油化工学院 2022-08-02 CN claimed
CN-114395064-A Preparation method for improving polymerization temperature of polyisomonoolefin-based elastomer or molecular weight of elastomer 北京石油化工学院 2022-04-26 CN claimed
WO-2004058829-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO claimed
WO-2004058836-A1 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058825-A2 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO claimed
EP-0736027-B1 GUANINE SYNTHONS FOR PEPTIDE NUCLEIC ACID SYNTHESIS AND METHOD FOR PRODUCTION PERSEPTIVE BIOSYSTEMS INC (US) 2002-05-29 EP claimed
US-5399646-A Alkylidenenorbornene polymer and process for producing the same NIPPON ZEON CO., LTD. (JP) 1995-03-21 US claimed
EP-0341012-B1 UNIFORM MOLECULAR WEIGHT POLYMERS EDISON POLYMER INNOVATION CORPORATION ( EPIC) (US) 1992-12-30 EP claimed
EP-0341012-A2 Uniform molecular weight polymers EDISON POLYMER INNOVATION CORPORATION ( EPIC) (US) 1989-11-08 EP claimed
US-4412847-A ARYL ETHERS THE STANDARD OIL COMPANY (US) 1983-11-01 US claimed
US-4292219-A Latex-base paint containing 2-methoxy-2-phenyl propane or 8-methoxy-p-menthane SUNTECH, INC. (PA) 1981-09-29 US claimed
EP-0009966-A1 Motor fuel containing an anti-knock additive THE STANDARD OIL COMPANY (US) 1980-04-16 EP claimed