SCHEMBL10489573

SCHEMBL10489573

Clc1ccc(Cl)c(Cl)c1Cl.Clc1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
CYP1A2 P05177 4/20 0.50
CYP2A6 P11509 4/20 0.50
PNMT P11086 2/20 0.50
CYP3A4 P08684 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
AHR P35869 2/20 0.48
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 2/20 0.42
IDO1 P14902 2/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL23239 0.93
SCHEMBL3991309 0.93 TSHR (0.61) TSHRCYP1A2CYP2A6PNMTCYP3A4
SCHEMBL3645067 0.89 TSHR (0.58) TSHRCYP1A2CYP2A6PNMTCYP3A4
Phosphine SCHEMBL22230521 0.89 TSHR (0.58) TSHRCYP1A2CYP2A6PNMTCYP3A4
Fluoride SCHEMBL28376896 0.89 TSHR (0.58) TSHRCYP1A2CYP2A6PNMTCYP3A4
Hydrochloric Acid SCHEMBL31618288 0.89 TSHR (0.58) TSHRCYP1A2CYP2A6PNMTCYP3A4
SCHEMBL1395277 0.89 TSHR (0.58) TSHRCYP1A2CYP2A6PNMTCYP3A4
SCHEMBL10786340 0.89 TSHR (0.58) TSHRCYP1A2CYP2A6PNMTCYP3A4
1,2-Dichlorobenzene SCHEMBL7650008 0.86 TSHR (0.71) TSHRCYP1A2CYP2A6PNMTCYP3A4
Nitrogen SCHEMBL9395652 0.86 TSHR (0.55) TSHRCYP1A2CYP2A6PNMTCYP3A4

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-105820032-A Production technology of 1,2,4-trichlorobenzene 四川福思达生物技术开发有限责任公司 2016-08-03 CN disclosed
US-4828703-A DRAINING, FILLING WITH INTERIM DIELECTRIC, OPERATING, DRAINING UNION CARBIDE CORPORATION (US) 1989-05-09 US disclosed
US-4744905-A POLYSILOXANE BLENDS, TRANSFORMERS UNION CARBIDE CORPORATION (US) 1988-05-17 US disclosed
EP-0147860-B1 METHOD FOR REPLACING PCB-CONTAINING COOLANTS IN ELECTRICAL INDUCTION APPARATUS WITH SUBSTANTIALLY PCB-FREE DIELECTRIC COOLANTS UNION CARBIDE CORPORATION (US) 1987-03-11 EP disclosed
EP-0147860-A2 Method for replacing PCB-containing coolants in electrical induction apparatus with substantially PCB-free dielectric coolants UNION CARBIDE CORPORATION (US) 1985-07-10 EP disclosed
WO-1985002937-A1 METHOD FOR REPLACING PCB-CONTAINING ASKARELS IN ELECTRICAL INDUCTION APPARATUS WITH PCB-FREE DIELECTRIC COOLANTS UNION CARBIDE CORPORATION (US) 1985-07-04 WO disclosed