SCHEMBL23401490

SCHEMBL23401490

CCCCc1nn(C(C)C)c(C)c1O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
SMPD3 Q9NY59 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL23399194 0.89 HTT (0.30) HTT
SCHEMBL27143990 0.87 HTT (0.33) FFAR1SMPD3HTT
SCHEMBL23403002 0.83 FFAR1 (0.32) FFAR1
SCHEMBL23402717 0.83 FFAR1 (0.32) FFAR1
SCHEMBL23399810 0.82 FFAR1 (0.37) FFAR1SMPD3NPC1HPGDMAPK1
SCHEMBL23399974 0.82 HTT (0.32) HTT
SCHEMBL23401260 0.81 FFAR1 (0.31) FFAR1
SCHEMBL27142248 0.81 FFAR1 (0.31) FFAR1
SCHEMBL23401842 0.81 FFAR1 (0.33) FFAR1NPC1HPGDMAPK1HTT
SCHEMBL23398630 0.80 FFAR1 (0.30) FFAR1

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
WO-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 WO disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed