SCHEMBL4437780

SCHEMBL4437780

CCCCC(CCC)N=C=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 1/20 0.32
DNM1 Q05193 2/20 0.32
MAPK1 P28482 1/20 0.31
CA1 P00915 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
SCHEMBL27888074 0.95 CA2 (0.35) CA2TSHRSMN1; SMN2FDPSDNM1
SCHEMBL21722569 0.93 CA1 (0.36) CA2FDPSCA1
SCHEMBL190160 0.93 CA2 (0.34) CA2TSHRSMN1; SMN2FDPSDNM1
SCHEMBL29036640 0.91 MAPT (0.39) CA2FDPSDNM1CA1
SCHEMBL12464486 0.91 MAPT (0.39) CA2FDPSDNM1CA1
SCHEMBL6844203 0.91 MAPT (0.39) CA2FDPSDNM1CA1
SCHEMBL17787524 0.91 CA2 (0.41) CA2FDPSDNM1CA1
SCHEMBL1886434 0.91 MAPT (0.33) CA2FDPS
SCHEMBL6184126 0.91 CYP3A4 (0.33) TSHR
SCHEMBL28426610 0.89 CA2 (0.44) CA2FDPSDNM1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256536-A1 FLUORINE-FREE FIBROUS TREATING COMPOSITIONS INCLUDING ISOCYANATE-DERIVED ETHYLENICALLY UNSATURATED MONOMER-CONTAINING OLIGOMERS, AND TREATING METHODS 3M Innovative Properties Company (US) 2017-12-20 EP disclosed
WO-2016130503-A1 FLUORINE-FREE FIBROUS TREATING COMPOSITIONS INCLUDING ISOCYANATE- DERIVED ETHYLENICALLY UNSATURATED MONOMER-CONTAINING OLIGOMERS, AND TREATING METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-18 WO disclosed
EP-2115084-A2 METHOD FOR PREPARING POLYHYDROXY-URETHANES Rhodia Opérations (FR) 2009-11-11 EP disclosed
WO-2008107568-A2 METHOD FOR PREPARING POLYHYDROXY-URETHANES RHODIA OPERATIONS (FR) 2008-09-12 WO disclosed
EP-1342731-A1 Cosmetic composition, especially nail enamel, comprising a modified nitrocellulose L'OREAL (FR) 2003-09-10 EP disclosed