SCHEMBL4642583

SCHEMBL4642583

C=CC(=O)OC1(F)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 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
SCHEMBL3813864 1.00 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4642632 0.98 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5137465 0.82 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8610647 0.80 KEAP1 (0.33)
SCHEMBL4328621 0.78 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13913343 0.77
SCHEMBL13913336 0.77
SCHEMBL4816348 0.76
SCHEMBL4323604 0.73 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL137442 0.73 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287047-B1 PHOTO-POLYMERS AND USE THEREOF TERAHERTZ PHOTONICS LTD (GB) 2008-08-13 EP claimed
US-20030114619-A1 Photo-polymers and use thereof TERAHERTZ PHOTONICS LIMITED (GB) 2003-06-19 US claimed
EP-1287047-A1 PHOTO-POLYMERS AND USE THEREOF TeraHertz Photonics Limited (GB) 2003-03-05 EP claimed
WO-2001094430-A1 PHOTO-POLYMERS AND USE THEREOF TERAHERTZ PHOTONICS LIMITED (GB) 2001-12-13 WO claimed
EP-1287047-B1 PHOTO-POLYMERS AND USE THEREOF TERAHERTZ PHOTONICS LTD (GB) 2008-08-13 EP disclosed
US-20030114619-A1 Photo-polymers and use thereof TERAHERTZ PHOTONICS LIMITED (GB) 2003-06-19 US disclosed
EP-1287047-A1 PHOTO-POLYMERS AND USE THEREOF TeraHertz Photonics Limited (GB) 2003-03-05 EP disclosed
WO-2001094430-A1 PHOTO-POLYMERS AND USE THEREOF TERAHERTZ PHOTONICS LIMITED (GB) 2001-12-13 WO disclosed