SCHEMBL1995919

SCHEMBL1995919

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 5/20 0.46
CYP3A4 P08684 4/20 0.46
CA2 P00918 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.36
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL11386784 0.91 LMNA (0.45) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL12424310 0.91 LMNA (0.45) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL3964723 0.84 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL28069928 0.80 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL87376 0.80
SCHEMBL10339027 0.76 LMNA (0.46) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL387001 0.74
SCHEMBL3884493 0.74 ALDH1A1 (0.68) ALDH1A1TDP1TSHRCYP3A4CA2
SCHEMBL6744467 0.74 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCYP3A4CA2
Water SCHEMBL9947734 0.72 ALDH1A1 (0.65) ALDH1A1TDP1TSHRCYP3A4CA2

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 13 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-8323534-B2 Thermoplastic electrochromic materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-04 US disclosed
US-8323534-B2 Thermoplastic electrochromic materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-04 US disclosed
US-20110147680-A1 THERMOPLASTIC ELECTROCHROMIC MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 US disclosed
US-20110147680-A1 THERMOPLASTIC ELECTROCHROMIC MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 US disclosed
WO-2011075647-A2 THERMOPLASTIC ELECTROCHROMIC MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 WO disclosed
WO-2011075696-A2 ELECTROCHROMIC DEVICES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 WO disclosed
US-20110149366-A1 ELECTROCHROMIC DEVICES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 US disclosed
US-20110149366-A1 ELECTROCHROMIC DEVICES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 US disclosed