SCHEMBL6661815

SCHEMBL6661815

CCCCCCCCCCCCC#CC#CCCC(=O)O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.85
PTPN7 P35236 5/20 0.85
TDP1 Q9NUW8 4/20 0.65
RECQL P46063 2/20 0.65
EPHX2 P34913 1/20 0.62
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.61
USP2 O75604 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
ALOX12 P18054 1/20 0.61
BLM P54132 1/20 0.61
MCL1 Q07820 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PPARG P37231 3/20 0.56
PPARD Q03181 3/20 0.56
PPARA Q07869 3/20 0.56

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
SCHEMBL417123 1.00 HMGCR (0.85) HMGCRPTPN7TDP1RECQLEPHX2
SCHEMBL30035957 1.00 HMGCR (0.85) HMGCRPTPN7TDP1RECQLEPHX2
SCHEMBL26624505 1.00 HMGCR (0.85) HMGCRPTPN7TDP1RECQLEPHX2
SCHEMBL10947728 1.00 HMGCR (0.85) HMGCRPTPN7TDP1RECQLEPHX2
SCHEMBL20838861 1.00 HMGCR (0.85) HMGCRPTPN7TDP1RECQLEPHX2
SCHEMBL414690 0.98 HMGCR (0.81) HMGCRPTPN7TDP1RECQLEPHX2
SCHEMBL31510843 0.96 HMGCR (0.79) HMGCRPTPN7TDP1RECQLEPHX2
SCHEMBL31510841 0.94 HMGCR (0.76) HMGCRPTPN7TDP1RECQLEPHX2
SCHEMBL455799 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLMEN1
SCHEMBL12478231 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177578-B1 MIXTURE OF IMAGEABLE POLYACETYLENIC COMPOUNDS WHICH HAVE SIMILAR PHOTOSENSITIVITIES AND WHICH ARE VISUALLY IMAGEABLE IN COMPLEMENTARY COLORS COMBINABLE TO PROVIDE A BLACK IMAGE ISP INVESTMENTS INC. 2001-01-23 US claimed
EP-0900409-B1 PROCESSLESS DIACETYLENIC SALT FILMS CAPABLE OF DEVELOPING A BLACK IMAGE ISP INVESTMENTS INC (US) 2004-08-11 EP disclosed
US-6177578-B1 MIXTURE OF IMAGEABLE POLYACETYLENIC COMPOUNDS WHICH HAVE SIMILAR PHOTOSENSITIVITIES AND WHICH ARE VISUALLY IMAGEABLE IN COMPLEMENTARY COLORS COMBINABLE TO PROVIDE A BLACK IMAGE ISP INVESTMENTS INC. 2001-01-23 US disclosed
EP-0900409-A4 PROCESSLESS DIACETYLENIC SALT FILMS CAPABLE OF DEVELOPING A BLACK IMAGE ISP INVESTMENTS INC (US) 2000-06-28 EP disclosed
EP-0900409-A1 PROCESSLESS DIACETYLENIC SALT FILMS CAPABLE OF DEVELOPING A BLACK IMAGE ISP INVESTMENTS INC. (US) 1999-03-10 EP disclosed
US-5731112-A Processless diacetylenic salt films capable of developing a black image ISP INVESTMENTS INC. (US) 1998-03-24 US disclosed
WO-1997044708-A1 PROCESSLESS DIACETYLENIC SALT FILMS CAPABLE OF DEVELOPING A BLACK IMAGE ISP INVESTMENTS INC. (US) 1997-11-27 WO disclosed