Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL28825752

B.CN(C)C.P.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ KCNN4 O15554 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
Benzene SCHEMBL407728 0.88 TSHR (0.43) TSHRTP53ALDH1A1KCNN4
Benzene SCHEMBL11054766 0.82 TSHR (0.38) TSHRTP53ALDH1A1KCNN4
Benzene SCHEMBL6037412 0.82 TSHR (0.38) TSHRTP53ALDH1A1KCNN4
Benzene SCHEMBL2998219 0.82 TSHR (0.38) TSHRTP53ALDH1A1KCNN4
Benzene SCHEMBL3158415 0.82 TSHR (0.38) TSHRTP53ALDH1A1KCNN4
Benzene SCHEMBL27657773 0.82 TSHR (0.38) TSHRTP53ALDH1A1KCNN4
Benzene SCHEMBL28304246 0.82 TSHR (0.38) TSHRTP53ALDH1A1KCNN4
Benzene SCHEMBL11550767 0.82 TSHR (0.38) TSHRTP53ALDH1A1KCNN4
Trimethylammonium SCHEMBL27936687 0.82 — —
Benzene SCHEMBL28068322 0.78 AOC3 (0.33) TSHRTP53ALDH1A1KCNN4

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-103275111-B To mix the early transition metal title complex of phenyl, synthetic method and application based on amidino groups boron SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-02-03 — — CN disclosed