SCHEMBL27154597

SCHEMBL27154597

CC(C)Cc1[nH]nc(C(C)(C)C)c1O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ TSHR P16473 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31

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
SCHEMBL27146923 0.79 HCAR2 (0.36) —
SCHEMBL27143695 0.76 HCAR2 (0.36) —
SCHEMBL27144103 0.75 CCNC (0.36) CCNCCDK8TSHRGABRA1GABRB2
SCHEMBL27140273 0.73 CCNC (0.36) CCNCCDK8TSHRGABRA1GABRB2
SCHEMBL27142084 0.73 HCAR2 (0.41) TSHR
SCHEMBL27153951 0.72 CCNC (0.35) CCNCCDK8TSHRGABRA1GABRB2
SCHEMBL27146310 0.71 — —
SCHEMBL27140447 0.69 RORC (0.31) —
SCHEMBL27153252 0.69 CCNC (0.33) CCNCCDK8TSHR
SCHEMBL27140045 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 — — EP disclosed
WO-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 — — WO disclosed
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