SCHEMBL29591306

SCHEMBL29591306

Cc1cc(C)cc([PH+](C2CCCCC2)C2CCCCC2)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

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
SCHEMBL29590163 0.83 LHCGR (0.35)
SCHEMBL29591455 0.82 NPC1 (0.31)
SCHEMBL29590306 0.81 TP53 (0.31)
SCHEMBL29590716 0.81 TP53 (0.32) ALDH1A1
SCHEMBL29592162 0.81 KMT2A (0.37) ALDH1A1
SCHEMBL29592177 0.81 ROCK2 (0.34)
SCHEMBL16694397 0.80 LMNA (0.32) ALDH1A1
SCHEMBL29592261 0.78 TAS1R3 (0.33)
SCHEMBL29589984 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL29591252 0.75 GRIN2B (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003271-B Process for producing aromatic compound 住友化学株式会社 2022-05-03 CN disclosed