SCHEMBL1995923

SCHEMBL1995923

CCCCC(CCC)[S+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
CA2 P00918 2/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30
FDPS P14324 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
SCHEMBL11387486 0.85 LMNA (0.41) DNM1CA2ALDH1A1TSHRFDPS
SCHEMBL8682846 0.85 LMNA (0.41) DNM1CA2ALDH1A1TSHRFDPS
SCHEMBL987964 0.81 DNM1 (0.32) DNM1
SCHEMBL4123953 0.79
SCHEMBL20780468 0.78
SCHEMBL24893133 0.76 ALDH1A1 (0.32) DNM1ALDH1A1TSHRCYP3A4
SCHEMBL11385298 0.76 LMNA (0.38) DNM1CA2ALDH1A1TSHRFDPS
SCHEMBL24532390 0.76 CA2 (0.33) DNM1CA2ALDH1A1TDP1TSHR
SCHEMBL27360312 0.75
SCHEMBL988641 0.75 OPRM1 (0.34) DNM1CA2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323534-B2 Thermoplastic electrochromic materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-04 US claimed
US-20110147680-A1 THERMOPLASTIC ELECTROCHROMIC MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 US claimed
WO-2011075647-A2 THERMOPLASTIC ELECTROCHROMIC MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 WO claimed
WO-2011075696-A2 ELECTROCHROMIC DEVICES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 WO claimed
US-20110149366-A1 ELECTROCHROMIC DEVICES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 US claimed
US-20090215888-A1 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2009-08-27 US claimed
EP-1909772-A1 TRANSDERMAL DRUG DELIVERY FORMULATION Nuvo Research Inc. (CA) 2008-04-16 EP claimed
WO-2007098591-A2 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2007-09-07 WO claimed
WO-2007016766-A1 TRANSDERMAL DRUG DELIVERY FORMULATION NUVO RESEARCH INC. (CA) 2007-02-15 WO claimed
US-20090215888-A1 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2009-08-27 US disclosed
US-20080319092-A1 Transdermal Drug Delivery Formulation NUVO RESEARCH INC. (CA) 2008-12-25 US disclosed
EP-1909772-A1 TRANSDERMAL DRUG DELIVERY FORMULATION Nuvo Research Inc. (CA) 2008-04-16 EP disclosed
WO-2007098591-A2 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2007-09-07 WO disclosed
WO-2007016766-A1 TRANSDERMAL DRUG DELIVERY FORMULATION NUVO RESEARCH INC. (CA) 2007-02-15 WO disclosed