SCHEMBL27145389

SCHEMBL27145389

CCCc1[nH]nc(C(C)C)c1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.34
▸ HCAR2 Q8TDS4 5/20 0.33
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ HCAR3 P49019 2/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GCGR P47871 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
SCHEMBL27140283 0.89 HCAR2 (0.41) HCAR2HCAR3GCGR
SCHEMBL27145272 0.85 HCAR2 (0.31) PDE5AHCAR2
SCHEMBL27146792 0.84 HCAR2 (0.36) HCAR2
SCHEMBL27140273 0.78 CCNC (0.36) —
SCHEMBL25960368 0.77 S1PR1 (0.37) PDE5APDE3BPDE3AGLA
SCHEMBL27145396 0.75 HCAR2 (0.40) HCAR2HCAR3
SCHEMBL27152985 0.74 KDM4E (0.33) PDE5AHCAR2
SCHEMBL27140068 0.74 HTT (0.37) PDE5AHCAR2PDE3BPDE3AHCAR3
SCHEMBL27139062 0.72 HCAR2 (0.34) PDE5AHCAR2GLA
SCHEMBL27138851 0.70 DYRK1A (0.35) HCAR2HCAR3

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-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 — — EP disclosed
CN-117222675-A polymerization inhibitor 巴斯夫欧洲公司 2023-12-12 — — CN disclosed
WO-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 — — WO disclosed
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