SCHEMBL6673503

SCHEMBL6673503

Clc1cccc(N(Cl)Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
PNMT P11086 2/20 0.41
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 2/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NR4A2 P43354 1/20 0.36
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
NOTUM Q6P988 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Hydrochloric Acid SCHEMBL11496370 0.97 TSHR (0.42) TSHRPNMTCYP1A2CYP2A6LMNA
SCHEMBL9337643 0.80 TSHR (0.41) TSHRPNMTCYP1A2CYP2A6LMNA
SCHEMBL174758 0.78 TSHR (0.50) TSHRPNMTCYP1A2CYP2A6LMNA
SCHEMBL19786 0.77 MAPT (0.46) TSHRPNMTCYP1A2CYP2A6LMNA
Hydrochloric Acid SCHEMBL10928987 0.76 TSHR (0.47) TSHRPNMTCYP1A2CYP2A6LMNA
SCHEMBL1905805 0.76 CYP3A4 (0.42) CYP2A6CYP3A4TDP1
SCHEMBL11511577 0.75 P2RX7 (0.43) TSHRCYP1A2CYP3A4CYP2D6ALDH1A1
Ethylene SCHEMBL15522512 0.74 TSHR (0.45) TSHRPNMTCYP1A2CYP2A6LMNA
Ethane SCHEMBL15522515 0.74 TSHR (0.45) TSHRPNMTCYP1A2CYP2A6LMNA
SCHEMBL23239 0.73

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116983292-A Chlorhexidine gluconate skin disinfectant and preparation method thereof 利康医药科技江苏有限公司 2023-11-03 CN claimed
CN-114814013-B Method for rapidly screening unknown chemical hazard residues in aquatic products based on high-resolution mass spectrum database 中国海洋大学 2023-06-02 CN claimed
CN-112795265-A Liquid sealing composition and preparation method and application thereof 中国建筑材料科学研究总院有限公司 2021-05-14 CN claimed
EP-0270965-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3,5-DICHLORO-2,4-DIFLUOROBENZENES BAYER AG (DE) 1992-09-02 EP claimed
US-5081288-A PROCESS FOR THE PREPARATION OF SUBSTITUTED 3,5-DICHLORO-2,4-DIFLUORO-BENZENES BAYER AKTIENGESELLSCHAFT (DE) 1992-01-14 US claimed
EP-0270965-A2 Process for the preparation of substituted 3,5-dichloro-2,4-difluorobenzenes BAYER AG (DE) 1988-06-15 EP claimed
CN-115850123-B Preparation method of 2, 4-dichloroaniline/hydrazine 山东潍坊润丰化工股份有限公司 2024-04-19 CN disclosed
EP-4329495-A1 COMPOSITIONS AND METHODS FOR REMEDIATION OF PESTICIDES AND HEAVY METALS FROM BIOMASS EXTRACTS Noel, Armand J. (US) 2024-03-06 EP disclosed
CN-116983292-A Chlorhexidine gluconate skin disinfectant and preparation method thereof 利康医药科技江苏有限公司 2023-11-03 CN disclosed
CN-114814013-B Method for rapidly screening unknown chemical hazard residues in aquatic products based on high-resolution mass spectrum database 中国海洋大学 2023-06-02 CN disclosed
CN-106946405-B Bioelectrochemical system and UASB coupled wastewater treatment device and method thereof 浙江大学 2023-04-25 CN disclosed
CN-115850123-A Preparation method of 2, 4-dichloroaniline/hydrazine 山东潍坊润丰化工股份有限公司 2023-03-28 CN disclosed
WO-2022232762-A1 COMPOSITIONS AND METHODS FOR REMEDIATION OF PESTICIDES AND HEAVY METALS FROM BIOMASS EXTRACTS NOEL ARMAND J (US) 2022-11-03 WO disclosed
EP-0001371-B1 PROCESS FOR THE DEHALOGENATION OF HALOGENATED AROMATIC COMPOUNDS RHONE-POULENC AGROCHIMIE (FR) 1980-10-01 EP disclosed
EP-0015220-A1 Process for the preparation of meta-chloro anilines RHONE-POULENC AGROCHIMIE (FR) 1980-09-03 EP disclosed
EP-0015219-A1 Process for the preparation of meta-chloro anilines RHONE-POULENC AGROCHIMIE (FR) 1980-09-03 EP disclosed
US-4206147-A HYDROGENATION WITH METAL CATALYST PHILAGRO (FR) 1980-06-03 US disclosed
US-4206148-A HYDROGENATION WITH A MODIFIED METAL CATALYST PHILAGRO (FR) 1980-06-03 US disclosed
EP-0001372-A2 Process for the dehalogenation of halogenated aromatic compounds RHONE-POULENC AGROCHIMIE (FR) 1979-04-04 EP disclosed
EP-0001371-A1 Process for the dehalogenation of halogenated aromatic compounds RHONE-POULENC AGROCHIMIE (FR) 1979-04-04 EP disclosed