SCHEMBL8012268

SCHEMBL8012268

CCCCNC(=O)ON=C(C(Br)(Br)Br)C(Br)(Br)Br

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.49
EPHX1 P07099 1/20 0.44

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
SCHEMBL8153165 0.81 ACHE (0.53) ACHEEPHX1
SCHEMBL31567625 0.70 EPHX1 (0.53) ACHEEPHX1
SCHEMBL16381789 0.70 EPHX1 (0.58) ACHEEPHX1
SCHEMBL11873194 0.70 EPHX1 (0.58) ACHEEPHX1
SCHEMBL19734493 0.70 EPHX1 (0.58) ACHEEPHX1
SCHEMBL24977100 0.70 EPHX1 (0.58) ACHEEPHX1
SCHEMBL11875601 0.70 EPHX1 (0.58) ACHEEPHX1
SCHEMBL31379789 0.69 ACHE (0.68) ACHEEPHX1
SCHEMBL514302 0.69
SCHEMBL27316949 0.69 ACHE (0.57) ACHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133473-A FREE OF BY-PRODUCTS; PREPARED BY REACTING AN ISOCYANATE WITH A HYDROXYLATED COMPOUND OR OXIME IN THE PRESENCE OF CERTAIN CATALYSTS ROHM AND HAAS COMPANY (US) 2000-10-17 US disclosed
EP-0967199-A1 Process for preparing carbamates ROHM AND HAAS COMPANY (US) 1999-12-29 EP disclosed