SCHEMBL3628764

SCHEMBL3628764

CC(=O)C(Cl)(Cl)C(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL3164284 0.75
SCHEMBL334822 0.73
SCHEMBL3615383 0.71
Methyl Alcohol SCHEMBL5264660 0.71 ALDH1A1 (0.42) ALDH1A1TSHRTDP1MAPTNFKB1
SCHEMBL10716641 0.69
SCHEMBL13544790 0.69 ALDH1A1 (0.33) ALDH1A1TSHRMAPTNFKB1
SCHEMBL1940539 0.67
SCHEMBL11122193 0.67
Chloroform SCHEMBL6694372 0.67 ALDH1A1 (0.38) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL8231083 0.67 ALDH1A1 (0.32) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829741-B2 Process for producing α, α-difluoroamine NATIONAL UNIVERSITY CORPORATION (JP) 2010-11-09 US disclosed
EP-2157078-A1 Fluorine compound and fluorinating agent comprising the compound Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-24 EP disclosed
US-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE NATIONAL UNIVERSITY CORPORATION, HOKKAIDO UNIVERSITY (JP) 2009-07-09 US disclosed
EP-1422216-B1 FLUORINE COMPOUND AND FLUORINATING AGENT COMPRISING THE COMPOUND MITSUBISHI GAS CHEMICAL CO (JP) 2009-01-07 EP disclosed
US-7297821-B2 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-11-20 US disclosed
EP-1813596-A1 PROCESS FOR PRODUCING ALPHA, ALPHA- DIFLUOROAMINE National University Corporation Hokkaido University (JP) 2007-08-01 EP disclosed
US-20060089513-A1 Fluorine compound and fluorinating agent comprising the compound HIDAKA TOSHIO 2006-04-27 US disclosed
US-7019173-B2 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-03-28 US disclosed
EP-1422216-A1 FLUORINE COMPOUND AND FLUORINATING AGENT COMPRISING THE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-05-26 EP disclosed
US-20040073065-A1 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-04-15 US disclosed
US-5049698-A Chlorination EASTMAN KODAK COMPANY (US) 1991-09-17 US disclosed
EP-0225510-B1 COMPOSITIONS SUITED AS STABILIZERS FOR POLYMERS BAYER AG (DE) 1991-03-20 EP disclosed
EP-0005849-B1 PROCESS FOR PREPARING ALPHA-CHLORO-N-MONOALKYL-ACETOACETAMIDES Wacker-Chemie GmbH (DE) 1981-10-21 EP disclosed
US-4260765-A APHIDICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4235818-A Process for producing alpha-monochloroacetoacetic acid monomethylamide CIBA-GEIGY CORPORATION (US) 1980-11-25 US disclosed
US-4207259-A WATER AS SOLVENT WACKER-CHEMIE GMBH (DE) 1980-06-10 US disclosed
EP-0005849-A1 Process for preparing alpha-chloro-N-monoalkyl-acetoacetamides Wacker-Chemie GmbH (DE) 1979-12-12 EP disclosed
US-4080457-A INSECTICIDES, PESTICIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. 1978-03-21 US 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-20060089513-A1 Fluorine compound and fluorinating agent comprising the compound AFF1, AFF2, RER1 ALDH1A1 1429/4885TSHR 710/4885TDP1 1920/4885
US-20040073065-A1 Fluorine compound and fluorinating agent comprising the compound AFF1, RER1, AFF2 ALDH1A1 1338/4885TSHR 1067/4885TDP1 1689/4885
US-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE FUCA1, FUCA2, DBH ALDH1A1 522/4885TSHR 452/4885TDP1 1729/4885

“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.