SCHEMBL19010490

SCHEMBL19010490

C=C1CC(=O)C(C(C)CC)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.33

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
SCHEMBL4775669 0.68 ACE (0.32) ACE
SCHEMBL6327300 0.66 ACE (0.38) ACE
SCHEMBL29107515 0.65 ACE (0.33) ACE
SCHEMBL29107601 0.64 ACE (0.32) ACE
SCHEMBL29107688 0.64 ACE (0.32) ACE
SCHEMBL13931696 0.64 TLR4 (0.37)
SCHEMBL10453942 0.64 CYP2D6 (0.44) ACE
SCHEMBL13104108 0.64 CYP2D6 (0.44) ACE
SCHEMBL87947 0.63 CYP2D6 (0.50)
SCHEMBL29107614 0.63 CYP2D6 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174877-A1 COMPATIBILIZER AND THERMOPLASTIC RESIN EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-22 US disclosed