Acetonitrile

Acetonitrile

SCHEMBL5200772

CC#N.CCCCCCCCN(C)C

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.75
TSHR P16473 3/20 0.55
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.40
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
Water SCHEMBL6438704 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL29431675 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL28698751 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL16990187 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL1607892 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL28789165 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL28934855 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL10958651 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL1607914 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL28198139 0.89 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064385-B1 ENZYMATIC TREATMENT OF TEXTILES USING A PECTATE LYASE FROM BACILLUS SUBTILIS DANISCO US INC GENENCOR DIV (US) 2016-02-17 EP disclosed
EP-1309545-B1 METHOD FOR PRODUCING ALKYL ARYL SULPHONATES BASF AG (DE) 2007-08-22 EP disclosed
EP-1579056-A4 TREATMENT OF FABRICS, FIBERS, OR YARNS NOVOZYMES NORTH AMERICA INC (US) 2007-04-25 EP disclosed
US-20060042020-A1 Treatment of fabrics, fibers, or yarns NOVOZYMES NORTH AMERICA, INC. (US) 2006-03-02 US disclosed
EP-1579056-A1 TREATMENT OF FABRICS, FIBERS, OR YARNS Novozymes North America, Inc. (US) 2005-09-28 EP disclosed
WO-2004059074-A1 TREATMENT OF FABRICS, FIBERS, OR YARNS NOVOZYMES NORTH AMERICA, INC. (US) 2004-07-15 WO disclosed
US-20030046773-A1 Preparation of cellulosic materials NOVOZYMES NORTH AMERICA, INC. 2003-03-13 US disclosed
EP-0892846-B1 BLEACHING POWER ENHANCERS FOR BLEACHES AND TEXTILE WASHING COMPOSITIONS BASF AG (DE) 2002-10-23 EP disclosed
US-6413929-B1 MIXTURE OF PEROXY COMPOUND AND AMINE BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6130198-A Bleaching efficiency boosters for bleach and textile detergent compositions BASF AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0958345-A2 ACTIVATORS FOR PER COMPOUNDS ORACLE CORPORATION (US) 1999-11-24 EP disclosed
WO-1998033878-A2 ACTIVATORS FOR PER COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-08-06 WO disclosed