SCHEMBL30828361

SCHEMBL30828361

Cc1cccc[nH+]1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL30408619 0.81 — —
SCHEMBL17976541 0.79 ACHE (0.35) TSHRACHE
SCHEMBL8987978 0.75 TRPA1 (0.34) —
Pyridine SCHEMBL7214643 0.74 ALDH1A1 (0.35) —
Pyridine SCHEMBL2376942 0.74 ALDH1A1 (0.35) —
Trimethylammonium SCHEMBL216520 0.73 ALDH1A1 (0.39) LMNATSHRALOX12ACHE
SCHEMBL11707018 0.72 ALDH1A1 (0.50) LMNATSHRALOX12ACHE
SCHEMBL143876 0.72 ALDH1A1 (0.50) LMNATSHRALOX12ACHE
Benzene SCHEMBL31091106 0.72 ALDH1A1 (0.50) LMNATSHRALOX12ACHE
Methylamine SCHEMBL3628885 0.70 ALDH1A1 (0.41) LMNATSHRALOX12ACHE

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-117795038-A Process for producing alpha-olefin oligomer composition 出光兴产株式会社 2024-03-29 — — CN disclosed
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