SCHEMBL4449545

SCHEMBL4449545

Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 12/20 0.56
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 2/20 0.48
TSHR P16473 5/20 0.42
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.38
HSP90AA1 P07900 1/20 0.35
TP53 P04637 1/20 0.33
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL23827190 0.86 AHR (0.67) AHRCYP3A4ALDH1A1TSHRHPGD
SCHEMBL4454430 0.83 AHR (0.55) AHRCYP3A4ALDH1A1TSHRHPGD
SCHEMBL4453629 0.80 AHR (0.56) AHRCYP3A4ALDH1A1TSHRHPGD
SCHEMBL3889367 0.80 CYP3A4 (0.67) AHRCYP3A4ALDH1A1TSHRHPGD
SCHEMBL30621942 0.80 CYP3A4 (0.67) AHRCYP3A4ALDH1A1TSHRHPGD
SCHEMBL4450643 0.80 ALOX5 (0.42) AHRCYP3A4ALDH1A1TSHRTP53
SCHEMBL4452922 0.78 ALDH1A1 (0.61) AHRCYP3A4ALDH1A1TSHRHPGD
SCHEMBL4453597 0.77 AHR (0.68) AHRCYP3A4ALDH1A1TSHRHPGD
SCHEMBL19991655 0.77 TSHR (0.53) AHRCYP3A4ALDH1A1TSHRHPGD
SCHEMBL4453372 0.75 CYP3A4 (0.46) AHRCYP3A4ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP claimed
US-20230330725-A1 VOLATILIZATION AND OXIDATION OF ORGANIC WASTE NATIONAL BANK OF CANADA (CA) 2023-10-19 US disclosed
CN-111701144-B Systems and methods for phototherapy modulation of nitric oxide 诺欧生物有限责任公司 2023-03-21 CN disclosed
CN-115831569-A Flux coupling structure with controlled flux cancellation 奥克兰联合服务有限公司 2023-03-21 CN disclosed
CN-215995320-U Photon beauty instrument 深圳市吉斯迪科技有限公司 2022-03-11 CN disclosed
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP disclosed
US-20090269857-A1 Instruments for detecting low-molecular weight substance FUJIKURA KASEI CO., LTD. (JP) 2009-10-29 US disclosed
US-20050148097-A1 Instruments for detecting low-molecular weight substance ENBIOTEC LABORATORIES C., LTD. (JP) 2005-07-07 US disclosed
EP-1489420-A1 INSTRUMENTS FOR DETECTING LOW-MOLECULAR WEIGHT SUBSTANCE Enbiotec Laboratories Co., Ltd. (JP) 2004-12-22 EP disclosed