SCHEMBL4646892

SCHEMBL4646892

C=C(C)C(=O)OC.C=C(C)C(=O)OC.FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL6261026 0.88 ALDH1A1 (0.58) ALDH1A1TSHR
Fluoromethane SCHEMBL28107511 0.87
SCHEMBL27466495 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL10636466 0.87
SCHEMBL4390490 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL1849 0.87
SCHEMBL6261433 0.85 ALDH1A1 (0.60) ALDH1A1TSHR
Fluoromethane SCHEMBL28089443 0.84 ALDH1A1 (0.83) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL20773731 0.84 ALDH1A1 (0.83) ALDH1A1TSHRTHRBTDP1HSD17B10
Hydrogen Peroxide SCHEMBL9143793 0.84

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-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