Chloroacetic Acid

Chloroacetic Acid

SCHEMBL3386474

O=C(O)CCl.O=C(O)CCl.OCCO

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.77
CAMK2A Q9UQM7 1/20 0.42
GPR84 Q9NQS5 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 3/20 0.38
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
OR51E2 Q9H255 2/20 0.35
FFAR3 O14843 1/20 0.35
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.33
MAPK1 P28482 1/20 0.33
GSK3B P49841 1/20 0.33
HIF1A Q16665 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
Chloroacetic Acid SCHEMBL3386881 1.00
Chloroacetic Acid SCHEMBL19089 0.88
Chloroacetic Acid SCHEMBL1330914 0.88
Chloroacetic Acid SCHEMBL1330649 0.88
Chloroacetic Acid SCHEMBL5309413 0.88 TSHR (1.00) TSHRLMNALDHASRRALKBH5
Chloroacetic Acid SCHEMBL1331987 0.88
1,4-Butanediol SCHEMBL28704519 0.86 TSHR (0.67) TSHRCAMK2AGPR84FFAR1FFAR4
Chloroacetic Acid SCHEMBL11681831 0.86 TSHR (0.67) TSHRCAMK2AGPR84FFAR1FFAR4
1,4-Butanediol SCHEMBL6667691 0.86 TSHR (0.67) TSHRCAMK2AGPR84FFAR1FFAR4
Chloroacetic Acid SCHEMBL9151159 0.85 TSHR (0.77) TSHRCAMK2AGPR84FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756353-B1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADV MAT SWITZERLAND (CH) 2010-12-01 EP claimed
US-7728067-B2 Acid donors for dyeing polyamide HUNTSMAN INTERNATIONAL LLC (US) 2010-06-01 US claimed
US-20080271260-A1 Acid Donors for Dyeing Polyamide PETER HANS-JORG 2008-11-06 US claimed
EP-1756353-A1 ACID DONORS FOR DYEING POLYAMIDE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-02-28 EP claimed
WO-2005106107-A1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2005-11-10 WO claimed
EP-1756353-B1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADV MAT SWITZERLAND (CH) 2010-12-01 EP disclosed
US-7728067-B2 Acid donors for dyeing polyamide HUNTSMAN INTERNATIONAL LLC (US) 2010-06-01 US disclosed
US-20080271260-A1 Acid Donors for Dyeing Polyamide PETER HANS-JORG 2008-11-06 US disclosed
EP-1756353-A1 ACID DONORS FOR DYEING POLYAMIDE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-02-28 EP disclosed
WO-2005106107-A1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2005-11-10 WO disclosed
US-4983692-A Curable coatings THE DOW CHEMICAL COMPANY (US) 1991-01-08 US disclosed
US-4294963-A Polyalkylpiperidine derivatives of s-triazine CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
US-4238613-A IMPARTING PHOTOSTABILITY AND OXIDATION AND HEAT RESISTANCE TO PLASTICS CIBA-GEIGY CORPORATION (US) 1980-12-09 US disclosed
US-4057643-A Antifungal compositions of butanediol bis (chloroacetate) CELANESE CORPORATION (US) 1977-11-08 US disclosed