SCHEMBL24727705

SCHEMBL24727705

NCCCC1CC[C@H]2CC2C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
ALOX5 P09917 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
SCHEMBL20090519 0.87 SIGMAR1 (0.47) SIGMAR1ALOX5
SCHEMBL19798199 0.81 SIGMAR1 (0.54) SIGMAR1
SCHEMBL21278453 0.81 SIGMAR1 (0.61) SIGMAR1ALOX5
SCHEMBL21686912 0.78 SIGMAR1 (0.44) SIGMAR1
SCHEMBL636867 0.77 SIGMAR1 (0.59) SIGMAR1
SCHEMBL24054 0.77
SCHEMBL24593118 0.75
Hydrochloric Acid SCHEMBL6739322 0.75
SCHEMBL1615250 0.73 SIGMAR1 (0.56) SIGMAR1
SCHEMBL17188958 0.73 SIGMAR1 (0.40) SIGMAR1

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
WO-2022244689-A1 PYRIMIDINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2022-11-24 WO disclosed