SCHEMBL4453346

SCHEMBL4453346

CC12CCC(C1)C(CCCC1CCCCC1)C2(C)CCCC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL4454591 0.85 SIGMAR1 (0.35) SIGMAR1CYP1A2
SCHEMBL10579794 0.64 CYP1A2 (0.68) SIGMAR1CYP1A2
SCHEMBL454467 0.64 CYP1A2 (0.68) SIGMAR1CYP1A2
SCHEMBL11503388 0.64 CYP1A2 (0.68) SIGMAR1CYP1A2
SCHEMBL4969658 0.64 CYP1A2 (0.68) SIGMAR1CYP1A2
SCHEMBL8080519 0.62 CYP1A2 (0.65) SIGMAR1CYP1A2
SCHEMBL4557684 0.60 CYP1A2 (0.42) SIGMAR1CYP1A2
SCHEMBL9190697 0.60 SIGMAR1 (0.70) SIGMAR1CYP1A2
SCHEMBL5614191 0.60 SIGMAR1 (0.70) SIGMAR1CYP1A2
SCHEMBL11653901 0.60 SIGMAR1 (0.70) SIGMAR1CYP1A2

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-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP claimed
US-20060270771-A1 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-11-30 US claimed
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US disclosed
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP disclosed
US-20060270771-A1 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-11-30 US disclosed