(Chloromethyl)Benzene

(Chloromethyl)Benzene

SCHEMBL28290709

C=C(C)C(=O)OC.ClCc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
ELANE P08246 1/20 0.41
KDM4E B2RXH2 3/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 2/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN9A Q15858 1/20 0.37
CA9 Q16790 1/20 0.37

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
Ethylbenzene SCHEMBL28055676 0.84 ALDH1A1 (0.54) ALDH1A1ELANELMNACA1CA2
(Chloromethyl)Benzene SCHEMBL18894568 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ECYP2C9LMNACA1
(Chloromethyl)Benzene SCHEMBL27469517 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNACA1CA2
(Chloromethyl)Benzene SCHEMBL25426295 0.83 ALDH1A1 (0.48) ALDH1A1
SCHEMBL28055681 0.81 ALDH1A1 (0.50) ALDH1A1ELANEKDM4ELMNACA12
SCHEMBL5333208 0.81 ALDH1A1 (0.58) ALDH1A1LMNACA1CA2CA12
Chlorobenzene SCHEMBL27545234 0.80 ALDH1A1 (0.58) ALDH1A1ELANEKDM4ECYP2D6CYP2C9
(Chloromethyl)Benzene SCHEMBL27616626 0.80 TDP1 (0.46) ALDH1A1KDM4ELMNACA1CA2
Allylbenzene SCHEMBL11212669 0.80 ALDH1A1 (0.48) ALDH1A1ELANEKDM4ECYP2D6CYP2C9
SCHEMBL8210772 0.80 ALDH1A1 (0.48) ALDH1A1ELANEKDM4ECYP3A4TSHR

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-110240813-A Dye dispersion liquid composition, self-luminous photosensitive polymer combination, color conversion layer, colour filter and display device 东友精细化工有限公司 2019-09-17 CN disclosed
CN-109863222-A Quantum dot dispersion, self-luminous photosensitive resin composition containing same, color filter manufactured by using same, and image display device 东友精细化工有限公司 2019-06-07 CN disclosed
CN-103360790-B Colorant dispersion 住友化学株式会社 2019-05-03 CN disclosed