SCHEMBL4433627

SCHEMBL4433627

CCC(O)(c1ccccc1)C(O)(CC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNN4 O15554 1/20 0.44
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL27833618 0.88 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9KCNN4CHRM2
SCHEMBL29156731 0.88 CYP2C19 (0.40) CYP2C19CYP1A2CYP2C9KCNN4CHRM2
SCHEMBL11444310 0.86 TSHR (0.42) CYP2C19CYP1A2CYP2C9KCNN4CHRM2
SCHEMBL12329628 0.86 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNACYP2D6KDM4E
SCHEMBL16363123 0.86 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNACYP2D6KDM4E
SCHEMBL864088 0.80 ALDH1A1 (0.43) CYP2C19CYP1A2SMN1; SMN2HIF1AALDH1A1
SCHEMBL536039 0.79 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9KCNN4SMN1; SMN2
SCHEMBL4307361 0.79 CYP2C19 (0.56) CYP2C19CYP1A2CYP2C9KCNN4CHRM3
SCHEMBL246639 0.79 SMN1; SMN2 (0.52) CYP2C19CYP1A2CYP2C9KCNN4CHRM2
SCHEMBL27267408 0.79 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9KCNN4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US claimed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US claimed
US-20230272188-A1 ADDITIVE COMPOSITION, RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE OF SAID RESIN COMPOSITION ADEKA CORPORATION (JP) 2023-08-31 US disclosed
EP-4183827-A1 ADDITIVE COMPOSITION, RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE OF SAID RESIN COMPOSITION ADEKA CORPORATION (JP) 2023-05-24 EP disclosed
CN-113073346-B Electrochemical method for simultaneously preparing o-diol and pyrrole methoxylation products 万华化学集团股份有限公司 2022-04-22 CN disclosed
CN-113073346-A Electrochemical method for simultaneously preparing o-diol and pyrrole methoxylation products 万华化学集团股份有限公司 2021-07-06 CN disclosed
US-9056227-B2 Golf ball comprising a core having a shallow hardness gradient ACUSHNET COMPANY (US) 2015-06-16 US disclosed
US-8968117-B2 Dual-core comprising zero gradient center and positive gradient outer core layer ACUSHNET COMPANY (US) 2015-03-03 US disclosed
CN-103877703-A Dual-Core Comprising Zero Gradient Center And Positive Gradient Outer Core Layer ACUSHNET CO 2014-06-25 CN disclosed
US-20130109506-A1 GOLF BALL COMPRISING A CORE HAVING A SHALLOW HARDNESS GRADIENT ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-20130109504-A1 DUAL-CORE COMPRISING ZERO GRADIENT CENTER AND POSITIVE GRADIENT OUTER CORE LAYER ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-7498371-B2 Obtained by reacting resorcinol, 2,4-pentanediol, and aldehyde in the presence of an acid catalyst ; relatively low level of free resorcinol; low fuming, lower Mooney viscosity (better processing), better dynamic stiffness properties; used as a methylene acceptor in a vulcanizable rubber; reinforcement SUMITOMO CHEMICAL CO., LTD. (JP) 2009-03-03 US disclosed
EP-1812487-A2 MODIFIED PHENOLIC NOVOLAK RESINS AND APPLICATIONS THEREOF INDSPEC CHEMICAL CORPORATION (US) 2007-08-01 EP disclosed
WO-2006036760-A2 MODIFIED PHENOLIC NOVOLAK RESINS AND APPLICATIONS THEREOF INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
US-20060069191-A1 Modified phenolic novolak resins and applications thereof INDSPEC CHEMICAL CORPORATION (US) 2006-03-30 US disclosed
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US disclosed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US disclosed
US-4921935-A Preparation of polyarylene sulphides with ketone or pinacone BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
EP-0315838-A1 Process for producing poly(arylen sulfide) with a well-defined fusion viscosity BAYER AG (DE) 1989-05-17 EP disclosed