Benzene

Benzene

SCHEMBL28158458

CCC(C)(C)OC=O.c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL28088 0.92
Benzoyl Peroxide SCHEMBL27907065 0.79 LMNA (0.53) TDP1ALDH1A1TSHR
SCHEMBL3042503 0.73 TDP1 (0.42) TDP1ALDH1A1TSHR
SCHEMBL20113570 0.73 TDP1 (0.37) TDP1ALDH1A1TSHR
Tert-Butyl Formate SCHEMBL28106695 0.73 TDP1 (0.81) TDP1ALDH1A1TSHR
SCHEMBL27442228 0.72
SCHEMBL93254 0.72
SCHEMBL95877 0.72 SLC6A2 (0.47) TDP1ALDH1A1TSHR
Tert-Butyl Formate SCHEMBL28266342 0.70 TDP1 (0.77) TDP1ALDH1A1TSHR
SCHEMBL271288 0.70

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
CN-106999361-A The composition of active material comprising encapsulating in drop and other compartments 宝洁公司 2017-08-01 CN disclosed
CN-106999893-A Method for being encapsulated in active material in drop and other compartments 宝洁公司 2017-08-01 CN disclosed
CN-106999892-A System for the encapsulating active substance in drop and other compartments 宝洁公司 2017-08-01 CN disclosed