Chloroacetic Acid

Chloroacetic Acid

SCHEMBL494452

O=C(O)CCl.O=C(OC(=O)c1c(Cl)cc(Cl)cc1Cl)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 3/20 0.39
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TPMT P51580 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 SCHEMBL494455 0.89 MAPK1 (0.41) LMNAKMT2AMAPTTDP1ALDH1A1
SCHEMBL432792 0.88 KMT2A (0.52) LMNAKMT2AMAPTTDP1ALDH1A1
SCHEMBL494453 0.85 LMNA (0.44) LMNAKMT2AMAPTTDP1ALDH1A1
SCHEMBL432793 0.78 LMNA (0.45) LMNAKMT2AMAPTTDP1TSHR
SCHEMBL493369 0.78 KMT2A (0.45) LMNAKMT2AMAPTALDH1A1TSHR
SCHEMBL11430439 0.74 KMT2A (0.52) LMNAKMT2AMAPTTDP1ALDH1A1
SCHEMBL5542753 0.71 KMT2A (0.53) LMNAKMT2AMAPTALDH1A1TSHR
SCHEMBL11465334 0.71 KMT2A (0.49) LMNAKMT2AMAPTALDH1A1TSHR
SCHEMBL11465333 0.71 KMT2A (0.49) LMNAKMT2AMAPTALDH1A1TSHR
SCHEMBL21952688 0.70 KMT2A (0.42) LMNAKMT2AMAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541606-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-09-24 US disclosed
US-8486606-B2 Acrylate derivative, haloester derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-07-16 US disclosed
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-8105746-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2012-01-31 US disclosed
US-20110117497-A1 ACRYLATE DERIVATIVE, HALOESTER DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2011-05-19 US disclosed
US-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-01-29 US disclosed
EP-1992651-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION Kuraray Co., Ltd. (JP) 2008-11-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 LMNA 3254/4885KMT2A 1840/4885MAPT 412/4885
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 LMNA 2303/4885KMT2A 3292/4885MAPT 291/4885
US-20110117497-A1 ACRYLATE DERIVATIVE, HALOESTER DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ARCN1, H1-10, RER1 LMNA 3253/4885KMT2A 3627/4885MAPT 1462/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.