SCHEMBL9420541

SCHEMBL9420541

O=C=Nc1ccc(C(=O)C(O)C(=O)C(O)(COCCO)C(=O)C(O)C(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9420630 0.83 CYP3A4 (0.38) CYP3A4TSHR
SCHEMBL9420491 0.82 CYP3A4 (0.37) CYP3A4TSHR
SCHEMBL9420512 0.80 CYP3A4 (0.35) CYP3A4TSHR
SCHEMBL9420463 0.80 CYP3A4 (0.35) CYP3A4TSHR
SCHEMBL10524809 0.75 CYP3A4 (0.35) CYP3A4TSHR
SCHEMBL9420625 0.74 CYP3A4 (0.41) CYP3A4TSHR
SCHEMBL9420545 0.73 CYP3A4 (0.38) CYP3A4TSHR
Ethylene Glycol SCHEMBL9420621 0.70 CYP3A4 (0.38) CYP3A4TSHR
SCHEMBL9420480 0.69 HSD17B10 (0.36)
SCHEMBL9420551 0.69 CYP4F2 (0.32)

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-0328585-B1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC (US) 1994-09-07 EP disclosed
EP-0328585-A4 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES 1991-06-05 EP disclosed
EP-0328585-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC. (US) 1989-08-23 EP disclosed
US-4829099-A SURGERY, POLYISOCYANATES, POLYISOTHIOCYANATES BIORESEARCH, INC. (US) 1989-05-09 US disclosed
WO-1989000589-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH, INC. (US) 1989-01-26 WO disclosed