SCHEMBL788138

SCHEMBL788138

c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ FKBP5 Q13451 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ NAPRT Q6XQN6 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
SCHEMBL15669154 0.95 KCNN4 (0.35) KCNN4TSHRALDH1A1FKBP5MAPK1
SCHEMBL2028230 0.84 KIF11 (0.43) ALDH1A1
SCHEMBL8210656 0.77 CYP2D6 (0.35) KCNN4TSHRALDH1A1NAPRT
SCHEMBL2028228 0.77 CA1 (0.36) TSHRALDH1A1
SCHEMBL15679873 0.77 KMT2A (0.30) —
SCHEMBL23355982 0.74 TSHR (0.39) KCNN4TSHRALDH1A1MAPK1
SCHEMBL31540874 0.71 NR1H2 (0.38) TSHRALDH1A1MAPK1NAPRT
SCHEMBL29085134 0.71 KIF11 (0.32) TSHR
SCHEMBL230628 0.69 KCNN4 (0.53) KCNN4TSHRALDH1A1MAPK1
SCHEMBL5720491 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813363-B1 FUNGICIDAL MIXTURES DU PONT (US) 1999-08-04 — — EP claimed
JP-61152606-A — — None — — JP disclosed
WO-2021002484-A9 HERBICIDE AND PRODUCTION METHOD FOR INTERMEDIATE THEREOF クミアイ化学工業株式会社 2021-04-15 — — WO disclosed
WO-2021002484-A2 HERBICIDE AND PRODUCTION METHOD FOR INTERMEDIATE THEREOF クミアイ化学工業株式会社 2021-01-07 — — WO disclosed
US-20190191707-A1 COMPOSITIONS COMPRISING BACILLUS LICHENIFORMIS AND BACILLUS SUBTILIS AND METHODS OF USE FOR CONTROLLING FUNGAL PATHOGENS FMC CORP (US) 2019-06-27 — — US disclosed
EP-3190882-A1 USES OF CARBONIC ESTERS OF GLYCEROL IN AGRICULTURE Agronutrition (FR) 2017-07-19 — — EP disclosed
US-9693551-B2 Pesticidal dispersible concentrate formulations VALENT U.S.A. CORPORATION (US) 2017-07-04 — — US disclosed
EP-2229052-B1 SEED TREATMENT FORMULATIONS AND METHODS OF USE VALENT USA CORP (US) 2016-08-24 — — EP disclosed
WO-2016038300-A1 USES OF CARBONIC ESTERS OF GLYCEROL IN AGRICULTURE AGRONUTRITION (FR) 2016-03-17 — — WO disclosed
EP-2961274-A1 SEED TREATMENT FORMULATIONS Valent U.S.A. Corporation (US) 2016-01-06 — — EP disclosed
EP-0841336-A1 Substituted thiopene derivative and plant disease control agent comprising the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-05-13 — — EP disclosed
EP-0251775-B1 ALPHA-ARYL-ALPHA-PHENYLETHYL-1H-1,2,4-TRIAZOLE-1-PROPANENITRILES ROHM AND HAAS COMPANY (US) 1993-01-20 — — EP disclosed
US-5087635-A Funcicides ROHM AND HAAS COMPANY (US) 1992-02-11 — — US disclosed
EP-0234683-B1 ALPHA-(2-ALKOXYPHENYL)-ALPHA-ALKYL-1H-1,2,4-TRIAZOLE-1-PROPANENITRILES AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1991-04-17 — — EP disclosed
EP-0415568-A2 Insecticidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 — — EP disclosed
US-4895865-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1990-01-23 — — US disclosed
US-4851421-A NONIONIC POLYETHER SURFACTANT KAO CORPORATION (JP) 1989-07-25 — — US disclosed
EP-0251775-A2 Alpha-aryl-alpha-phenylethyl-1H-1,2,4-triazole-1-propanenitriles ROHM AND HAAS COMPANY (US) 1988-01-07 — — EP disclosed
EP-0234683-A1 Alpha-(2-alkoxyphenyl)-alpha-alkyl-1H-1,2,4-triazole-1-propanenitriles and derivatives ROHM AND HAAS COMPANY (US) 1987-09-02 — — EP disclosed
JP-S61152606-A STABILIZED AGRICULTURAL CHEMICAL COMPOSITION KUMIAI CHEM IND CO LTD 1986-07-11 — — JP disclosed
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