Benzene

Benzene

SCHEMBL28137282

C=C.C=C(C)C.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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 SCHEMBL1685406 0.95 TP53 (0.36) TP53TSHRALDH1A1TDP1HSD17B10
Benzene SCHEMBL17504475 0.95 TP53 (0.36) TP53TSHRALDH1A1TDP1HSD17B10
Hydrogen Peroxide SCHEMBL8376264 0.84 ALDH1A1 (0.42) TP53TSHRALDH1A1TDP1HSD17B10
Hydrogen Peroxide SCHEMBL28526372 0.84
Ethylene SCHEMBL1276812 0.84
Ethylene SCHEMBL11147642 0.84 ALDH1A1 (0.42) TP53TSHRALDH1A1TDP1HSD17B10
Benzene SCHEMBL134227 0.80 TDP1 (0.38) TP53TSHRALDH1A1TDP1HSD17B10
Ethylene SCHEMBL2727368 0.78
Ethylene SCHEMBL9273239 0.78
SCHEMBL10871026 0.78 ALDH1A1 (0.46) TP53TSHRALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104325802-B Novel plate material using water-based printing ink 中国科学院化学研究所 2017-05-17 CN claimed
CN-107921007-A Patch 株式会社钟化 2018-04-17 CN disclosed
CN-104507706-B Pneumatic tire with inner liner 住友橡胶工业株式会社 2018-01-30 CN disclosed
CN-104582979-B Possesses the pneumatic tire of inner liner 住友橡胶工业株式会社 2017-08-01 CN disclosed
CN-104797434-B Pneumatic tire 住友橡胶工业株式会社 2017-07-04 CN disclosed
CN-103717408-B Pneumatic tire 住友橡胶工业株式会社 2017-06-20 CN disclosed