SCHEMBL7031358

SCHEMBL7031358

NC(CP(C1CCCCC1)C1CCCCC1)CP(C1CCCCC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL301038 0.75 SHBG (0.32) EPHX1
SCHEMBL13297745 0.75 SHBG (0.32) EPHX1
SCHEMBL7031513 0.72
SCHEMBL2333802 0.70 EPHX1 (0.36) EPHX1TP53
SCHEMBL3901953 0.70
SCHEMBL301349 0.69
SCHEMBL17585038 0.69
SCHEMBL984692 0.69
SCHEMBL8000320 0.67
SCHEMBL3901923 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944638-B1 CIS-BRIDGED METAL COMPLEXES BASF AG (DE) 2003-06-11 EP disclosed
EP-0944666-B1 CATALYST SYSTEMS FOR PRODUCING COPOLYMERS OF CARBON MONOXIDE AND OLEFINICALLY UNSATURATED COMPOUNDS BASF AG (DE) 2003-03-05 EP disclosed
US-6103867-A METAL COMPLEX MIXED WITH LEWIS AND/OR PROTIC ACIDS; SIMPLIFICATION, EFFICIENCY, HALOGEN-FREE STARTING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed