Benzene

Benzene

SCHEMBL28113554

C=COC(=O)C(C)=CCC1CO1.c1ccccc1

nearest known ligand 0.38

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL17530555 0.95 ALDH1A1 (0.41) ALDH1A1
SCHEMBL22834335 0.95 ALDH1A1 (0.41) ALDH1A1
Acrylic Acid SCHEMBL27829916 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL27708634 0.79 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4820517 0.78 MGLL (0.41) ALDH1A1
SCHEMBL27912031 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL933216 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9245577 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL950903 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6260218 0.77 ALDH1A1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106147190-A PC/ASA intermingling material that a kind of low gloss high-strength halogen-free is fire-retardant and preparation method thereof 太仓市华鼎塑料有限公司 2016-11-23 CN disclosed