SCHEMBL27145396

SCHEMBL27145396

CCCCc1[nH]nc(C(C)CC)c1O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 5/20 0.40
▸ HCAR3 P49019 2/20 0.34
▸ PBRM1 Q86U86 1/20 0.31
▸ FFAR1 O14842 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
SCHEMBL27145272 0.90 HCAR2 (0.31) HCAR2
SCHEMBL27140283 0.86 HCAR2 (0.41) HCAR2HCAR3PBRM1FFAR1
SCHEMBL27153506 0.82 HCAR2 (0.34) HCAR2
SCHEMBL27153252 0.79 CCNC (0.33) —
SCHEMBL27145389 0.75 PDE5A (0.34) HCAR2HCAR3
SCHEMBL27144117 0.73 TSHR (0.31) HCAR3
SCHEMBL27141935 0.73 HCAR2 (0.45) HCAR2HCAR3PBRM1
SCHEMBL27151843 0.73 PDE4D (0.32) HCAR3
SCHEMBL27151848 0.72 TSHR (0.31) —
SCHEMBL27144214 0.72 HCAR2 (0.44) HCAR2HCAR3PBRM1

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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