Benzene

Benzene

SCHEMBL28112975

O=C(O)c1ccc(S)cc1.c1ccccc1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
TP53 P04637 1/20 0.67
DAO P14920 1/20 0.60
NAPRT Q6XQN6 1/20 0.60
SRD5A2 P31213 4/20 0.57
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA3 P07451 1/20 0.55
TYR P14679 1/20 0.55
DRD1 P21728 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55

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
SCHEMBL40593 0.97 TSHR (0.71) TSHRTP53DAONAPRTSRD5A2
Benzenethiol SCHEMBL3155034 0.95 TSHR (0.62) TSHRTP53DAONAPRTSRD5A2
Methane SCHEMBL28305326 0.94 TSHR (0.67) TSHRTP53DAONAPRTSRD5A2
SCHEMBL6519285 0.94 TSHR (0.67) TSHRTP53DAONAPRTSRD5A2
SCHEMBL6513037 0.94 TSHR (0.67) TSHRTP53DAONAPRTSRD5A2
SCHEMBL5511182 0.94 TSHR (0.67) TSHRTP53DAONAPRTSRD5A2
SCHEMBL31427160 0.94 TSHR (0.67) TSHRTP53DAONAPRTSRD5A2
Terephthalic Acid SCHEMBL10413125 0.92 TSHR (0.65) TSHRTP53DAONAPRTSRD5A2
Terephthalic Acid SCHEMBL27455752 0.92 TSHR (0.65) TSHRTP53DAONAPRTSRD5A2
SCHEMBL29103870 0.90 BCL2L1 (0.60) TSHRTP53SRD5A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107129458-B Carbazole oxime ester compound and synthesis method and application thereof 江苏和成新材料有限公司 2021-02-09 CN disclosed
CN-106278967-B Acyl oxime ester compound for UV curing material and synthetic method and application thereof 江苏和成新材料有限公司 2020-08-07 CN disclosed
CN-106278966-B Oxime ester compound and its synthetic method and application 江苏和成新材料有限公司 2019-11-05 CN disclosed
CN-109096197-A The synthesis technology of fenticonazole nitrate 翔宇药业股份有限公司 2018-12-28 CN disclosed
CN-107129458-A Carbazole oxime ester compound and its synthetic method and application 江苏和成新材料有限公司 2017-09-05 CN disclosed
CN-106278966-A Oxime ester compound and synthetic method thereof and application 江苏和成新材料有限公司 2017-01-04 CN disclosed
CN-106278967-A For the acyl group oxime ester compound of UV curing materials and synthetic method thereof and application 江苏和成新材料有限公司 2017-01-04 CN disclosed