SCHEMBL23403252

SCHEMBL23403252

CCCc1nn(C)c(C(C)(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL23402703 0.91 CNR1 (0.33) LMNAMAPTATML3MBTL1
SCHEMBL22678964 0.85 TKT (0.31)
SCHEMBL23402181 0.85 GAA (0.37)
SCHEMBL23399962 0.82 CNR1 (0.32) LMNAMAPTATML3MBTL1
SCHEMBL22678965 0.81 HTR7 (0.33)
SCHEMBL23401966 0.80
SCHEMBL23400483 0.80
SCHEMBL23402720 0.80 CNR1 (0.39)
SCHEMBL23398884 0.77
SCHEMBL23402099 0.76 KDM4E (0.33)

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