Benzenethiol

Benzenethiol

SCHEMBL6266455

CC[Al]CC.Sc1ccccc1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ PSIP1 O75475 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 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
Benzenethiol SCHEMBL28133317 0.83 ALDH1A1 (0.41) TP53PSIP1TSHRIDO1TRPA1
Benzenethiol SCHEMBL27710185 0.83 TP53 (0.45) TP53PSIP1TSHRIDO1ALDH1A1
Benzenethiol SCHEMBL28328862 0.80 IDO1 (0.43) TP53PSIP1TSHRIDO1LMNA
Benzenethiol SCHEMBL28174992 0.80 TP53 (0.43) TP53PSIP1TSHRIDO1LMNA
Benzenethiol SCHEMBL8716345 0.79 KCNH2 (0.45) TP53TSHRALDH1A1CHRM2HTR1A
Benzenethiol SCHEMBL8716349 0.79 KCNH2 (0.45) TP53TSHRALDH1A1CHRM2HTR1A
Benzenethiol SCHEMBL8812966 0.79 KCNH2 (0.45) TP53TSHRALDH1A1CHRM2HTR1A
Benzenethiol SCHEMBL28175963 0.78 TP53 (0.41) TP53PSIP1TSHRIDO1ALDH1A1
Benzenethiol SCHEMBL28257970 0.78 TSHR (0.41) TP53PSIP1TSHRIDO1TRPA1
Benzenethiol SCHEMBL3297154 0.77 KCNH2 (0.43) TP53TSHRALDH1A1CHRM2HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278782-B1 A PROCESS FOR PREPARING HYDROGENATED AROMATIC POLYMERS DOW GLOBAL TECHNOLOGIES INC (US) 2005-11-02 — — EP disclosed
US-6455656-B2 HYDROGENATING PRIOR TO POLYMER ISOLATION OR FINISHING; LOWER CATALYST POISONING DOW GLOBAL TECHNOLOGIES INC. 2002-09-24 — — US disclosed
US-20010051691-A1 Process for preparing hydrogenated aromatic polymers DOW GLOBAL TECHNOLOGIES LLC 2001-12-13 — — US disclosed
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