SCHEMBL7963248

SCHEMBL7963248

CC(C)C(C)(C)OCCO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL11396199 0.85 CYP4F2 (0.42) MAPK1CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL10332121 0.83 MAPK1 (0.33) MAPK1
Ammonia Solution, Strong SCHEMBL10670078 0.80 MAPK1 (0.36) MAPK1CYP4F2CYP4A11
SCHEMBL7965140 0.78
SCHEMBL5699359 0.76 HSD17B10 (0.33)
SCHEMBL12318095 0.76 MAPK1 (0.40) MAPK1
SCHEMBL298404 0.75 TSHR (0.34) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL19733359 0.75
SCHEMBL7963245 0.74
SCHEMBL18270392 0.74 PIK3CD (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed
EP-0038129-B1 PROCESS FOR THE HYDROLYSIS OF GLYCOL DIALKYL ETHER TO A MONOALKYL ETHER AND TERTIARY ALCOHOL OR TERTIARY OLEFIN MARUZEN PETROCHEMICAL CO., LTD. (JP) 1983-08-10 EP disclosed
US-4368337-A POLYMERIZATION INHIBITION, ACIDIC ION EXCHANGE CATALYST MARUZEN OIL CO., LTD. (JP) 1983-01-11 US disclosed
EP-0038129-A1 Process for the hydrolysis of glycol dialkyl ether to a monoalkyl ether and tertiary alcohol or tertiary olefin MARUZEN PETROCHEMICAL CO., LTD. (JP) 1981-10-21 EP disclosed