Benzene

Benzene

SCHEMBL1685406

C=C(C)C.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 3/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
HPGD P15428 1/20 0.32
KDM4E B2RXH2 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 SCHEMBL17504475 1.00 TP53 (0.36) TP53TSHRALDH1A1TDP1HSD17B10
Hydrogen Peroxide SCHEMBL28526372 0.88
Hydrogen Peroxide SCHEMBL8376264 0.88 ALDH1A1 (0.42) TP53TSHRALDH1A1TDP1HSD17B10
Benzene SCHEMBL134227 0.84 TDP1 (0.38) TP53TSHRALDH1A1TDP1HSD17B10
SCHEMBL437564 0.82
SCHEMBL2815 0.82
SCHEMBL6799285 0.82 ALDH1A1 (0.46) TP53TSHRALDH1A1TDP1HSD17B10
SCHEMBL434958 0.82
SCHEMBL10871026 0.82 ALDH1A1 (0.46) TP53TSHRALDH1A1TDP1HSD17B10
Benzene SCHEMBL4426066 0.80 TDP1 (0.35) TP53TSHRALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113813792-B Process for producing hypophosphorous acid by bipolar membrane electrodialysis 湖北吉星化工集团有限责任公司 2023-12-01 CN claimed
US-11918694-B2 Orally ingestible delivery system Soane Pharma LLC (US) 2024-03-05 US disclosed
CN-113813792-B Process for producing hypophosphorous acid by bipolar membrane electrodialysis 湖北吉星化工集团有限责任公司 2023-12-01 CN disclosed
WO-2021080972-A1 ORALLY INGESTIBLE DELIVERY SYSTEM Soane Pharma LLC (US) 2021-04-29 WO disclosed
US-20210113476-A1 ORALLY INGESTIBLE DELIVERY SYSTEM Soane Pharma LLC 2021-04-22 US disclosed
CN-108152318-A A kind of quantitative nuclear magnetic resonance hydrogen spectruming determining synthesis is to the method for conversion ratio in polyisobutene phenol process 黄河三角洲京博化工研究院有限公司 2018-06-12 CN disclosed
CN-107106988-A Separating film element 东丽株式会社 2017-08-29 CN disclosed
US-7923592-B2 From petroleum feedstock; contacting feedstock and steam; heating; noncatalytic reaction; dehydrogenation VELOCYS, INC. (US) 2011-04-12 US disclosed
WO-2008097785-A1 PROCESS FOR MAKING UNSATURATED HYDROCARBONS USING MICROCHANNEL PROCESS TECHNOLOGY VELOCYS INC. (US) 2008-08-14 WO disclosed
US-20080184915-A1 PROCESS FOR MAKING UNSATURATED HYDROCARBONS USING MICROCHANNEL PROCESS TECHNOLOGY ENERGY, UNITED STATES DEPARTMENT OF 2008-08-07 US disclosed