SCHEMBL5834684

SCHEMBL5834684

B.CC(C)C[Al+]CC(C)C.[H-]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL332 0.96
SCHEMBL3115471 0.96 TSHR (0.33) ALDH1A1TSHRMAPK1
SCHEMBL6220364 0.92 CA2 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL399336 0.92 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
Methane SCHEMBL28085401 0.92 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
Bromide SCHEMBL7042100 0.92 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
Ammonia Solution, Strong SCHEMBL16534238 0.92 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL6142895 0.92 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
Lithium Ion SCHEMBL1252265 0.92 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL7973312 0.92 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1

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
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed