SCHEMBL9549513

SCHEMBL9549513

CN(C)CCCCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH1 P35367 2/20 0.43
HTR2A P28223 1/20 0.43
LSS P48449 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
HTR1B P28222 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9549618 0.94 CYP3A4 (0.46) SIGMAR1CYP3A4TDP1HRH1HTR2A
SCHEMBL9549561 0.86 CYP3A4 (0.50) SIGMAR1CYP3A4TDP1HRH1HTR2A
SCHEMBL9549730 0.82 SIGMAR1 (0.50) SIGMAR1CYP3A4TDP1HRH1HTR2A
SCHEMBL10790182 0.82 CYP3A4 (0.60) SIGMAR1CYP3A4TDP1HRH1HTR2A
SCHEMBL9549821 0.81 SIGMAR1 (0.47) SIGMAR1CYP3A4TDP1HRH1HTR2A
SCHEMBL6455349 0.79 CYP3A4 (0.46) SIGMAR1CYP3A4TDP1HRH1HTR2A
SCHEMBL27885690 0.79 TDP1 (0.50) SIGMAR1CYP3A4TDP1HRH1HTR2A
Bromide SCHEMBL4352867 0.78 TDP1 (0.44) SIGMAR1CYP3A4TDP1HRH1HTR2A
Bromide SCHEMBL4353499 0.78 CYP3A4 (0.44) SIGMAR1CYP3A4TDP1HRH1HTR2A
SCHEMBL2505530 0.77 TSHR (0.52) CYP3A4TDP1HRH1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208317-A Molding materials of cured epoxy resins THE DOW CHEMICAL COMPANY (US) 1993-05-04 US disclosed
US-5109099-A ADVANCING EPOXY RESINS IN PRESENCE OF AMINO GROUP-CONTAINING PHOSPHONIUM CATALYST THE DOW CHEMICAL COMPANY (US) 1992-04-28 US disclosed
EP-0441243-A2 Precatalyzed catalyst compositions, process for preparing epoxy resins, curable compositions, articles resulting from curing the resultant compositions THE DOW CHEMICAL COMPANY (US) 1991-08-14 EP disclosed
US-4981926-A Rapid and selective curing using phosphonium catalyst containing an amine group; polyepoxides THE DOW CHEMICAL COMPANY (US) 1991-01-01 US disclosed