SCHEMBL6577901

SCHEMBL6577901

C=C(CC(=O)O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
ACLY P53396 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 1/20 0.33
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 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
SCHEMBL24760635 0.78
SCHEMBL13810625 0.78 PLOD2 (0.39) HSD17B10ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL26211469 0.76 ALDH1A1 (0.34) ALOX15HSD17B10ALDH1A1POLBSMN1; SMN2
SCHEMBL24867722 0.76 LMNA (0.47) HSD17B10TSHRKMT2AMAPT
Trifluoroacetic Acid SCHEMBL28035892 0.73 LDHA (0.60) LDHASRRACLYALDH1A1POLB
SCHEMBL8895179 0.72 LDHA (0.42) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL26624706 0.72 LDHA (0.42) LDHASRRALOX15HSD17B10ALDH1A1
SCHEMBL10707318 0.72
SCHEMBL18901583 0.72 SLC22A6 (0.52) ALDH1A1TSHRKMT2AMAPT
SCHEMBL29026867 0.72 MGAM (0.44) HSD17B10ALDH1A1TSHRTET2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386662-A1 Double metal cyanide catalysts for preparing polyether polyols Bayer Aktiengesellschaft (DE) 2004-02-04 EP disclosed
US-5514276-A Permselective hollow fiber fluid separation membranes having plasma-polymerized lumen-side coatings BEND RESEARCH, INC. (US) 1996-05-07 US disclosed
EP-0622111-A1 Plasma polymerization and surface modification inside hollow micro-substrates BEND RESEARCH, INC. (US) 1994-11-02 EP disclosed
US-4874781-A INSECTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-10-17 US disclosed