SCHEMBL27148657

SCHEMBL27148657

CC(C)(C)CCc1n[nH]cc1O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.35
DAO P14920 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
SCHEMBL23013150 0.76 HCAR2 (0.42)
SCHEMBL11084609 0.74 HCAR2 (0.39)
SCHEMBL574839 0.73 HCAR2 (0.40)
SCHEMBL23012479 0.73 MEN1 (0.36)
SCHEMBL11323970 0.73
Hydrochloric Acid SCHEMBL11322350 0.69
SCHEMBL8606233 0.68 MTNR1A (0.36)
SCHEMBL23014448 0.66 HRH4 (0.46)
SCHEMBL20599591 0.62 CA2 (0.33)
SCHEMBL11200826 0.61 HRH3 (0.32) NUDT1DAO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 EP disclosed