SCHEMBL7599047

SCHEMBL7599047

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PGD P52209 1/20 0.31
GPR84 Q9NQS5 4/20 0.31
FOLH1 Q04609 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL7596870 0.88 CYP2D6 (0.31) CYP2D6TSHRCYP2C19HIF1ASLC22A6
SCHEMBL2222458 0.86 CYP2D6 (0.30) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL19307810 0.85
SCHEMBL1704335 0.78 SLC22A6 (0.38) TSHRSLC22A6TDP1GPR84FOLH1
SCHEMBL7598977 0.75 THRB (0.41) SLC22A6TDP1FOLH1SMN1; SMN2
SCHEMBL1271508 0.73 SLC22A6 (0.38) TSHRSLC22A6TDP1GPR84FOLH1
SCHEMBL29211171 0.72 SLC22A6 (0.41) TSHRSLC22A6TDP1GPR84FOLH1
SCHEMBL30979237 0.71 THRB (0.41) SLC22A6TDP1FOLH1SMN1; SMN2
SCHEMBL31358643 0.69
SCHEMBL28719269 0.69 SLC22A6 (0.38) TSHRSLC22A6TDP1GPR84FOLH1

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
WO-2023008248-A1 REACTIVE MATERIAL AND THIN FILM PRODUCTION METHOD 株式会社ADEKA 2023-02-02 WO disclosed
EP-0981655-B1 CHEMICAL VAPOUR DEPOSITION PRECURSORS QINETIQ LTD (GB) 2002-10-16 EP disclosed
EP-0981655-A2 CHEMICAL VAPOUR DEPOSITION PRECURSORS Secretary of State for Defence acting through his Defence Evaluation and Research Agency (GB) 2000-03-01 EP disclosed
WO-1998051837-A2 CHEMICAL VAPOUR DEPOSITION PRECURSORS SECRETARY OF STATE FOR DEFENCE ACTING THROUGH HIS DEFENCE EVALUATION AND RESEARCH AGENCY (GB) 1998-11-19 WO disclosed