Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL1493081

F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[LiH].c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 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
Benzene SCHEMBL1493185 0.94 TP53 (0.33) TP53TSHR
Benzene SCHEMBL1493022 0.94 TP53 (0.33) TP53TSHR
Benzene SCHEMBL1493117 0.94 TP53 (0.33) TP53TSHR
Benzene SCHEMBL1444051 0.94 TP53 (0.43) TP53TSHRALDH1A1
Benzene SCHEMBL28390273 0.94 TP53 (0.43) TP53TSHRALDH1A1
Benzene SCHEMBL7949738 0.94 TP53 (0.43) TP53TSHRALDH1A1
Benzene SCHEMBL28519640 0.94 TP53 (0.43) TP53TSHRALDH1A1
Benzene SCHEMBL1493040 0.94 TP53 (0.43) TP53TSHRALDH1A1
Benzene SCHEMBL8980183 0.88 TP53 (0.38) TP53TSHRALDH1A1
Benzene SCHEMBL9741754 0.88 TP53 (0.38) TP53TSHRALDH1A1

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
WO-2011031401-A2 LITHIUM NON-FLUORINATED AND FLUORINATED PHENYL TRIFLUORO BORATE SALTS FOR NON-AQUEOUS BATTERY ELECTROLYTES BROOKHAVEN SCIENCE ASSOCIATES LLC (US) 2011-03-17 — — WO claimed
WO-2011031401-A2 LITHIUM NON-FLUORINATED AND FLUORINATED PHENYL TRIFLUORO BORATE SALTS FOR NON-AQUEOUS BATTERY ELECTROLYTES BROOKHAVEN SCIENCE ASSOCIATES LLC (US) 2011-03-17 — — WO disclosed