SCHEMBL30999982

SCHEMBL30999982

C[Si](C)(C)CCOCn1c2c(c(=O)[nH]c1=O)CCC2Br

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL30999963 0.75 PARP1 (0.32)
SCHEMBL6719388 0.75 MAPT (0.45)
SCHEMBL25344514 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6730106 0.68 ALDH1A1 (0.39) ALDH1A1
SCHEMBL31731124 0.68
SCHEMBL6722438 0.66 ATM (0.38) ALDH1A1
SCHEMBL6723898 0.65 PNP (0.36) ALDH1A1
SCHEMBL6719104 0.65 NPC1 (0.53) ALDH1A1
SCHEMBL20485581 0.64 NPC1 (0.37) ALDH1A1
SCHEMBL6726785 0.64 NPC1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658262-A1 BICYCLIC IMIDE COMPOUNDS AS TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2025-12-10 EP disclosed
WO-2024163333-A1 BICYCLIC IMIDE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC (US) 2024-08-08 WO disclosed