SCHEMBL9104440

SCHEMBL9104440

C/C(O)=C/C=C/C=C(/C)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 1/20 0.33

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
SCHEMBL9104449 1.00 TSHR (0.35) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL13711429 0.83
SCHEMBL15086358 0.83
SCHEMBL14632308 0.83
SCHEMBL18629200 0.83
SCHEMBL4421693 0.81
SCHEMBL7865989 0.81
SCHEMBL12036228 0.81
SCHEMBL4421696 0.81
SCHEMBL17056918 0.81

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-0474431-B1 Amphiphilic compounds for sequential monolayer deposition ICI PLC (GB) 1996-03-06 EP disclosed
US-5275924-A Non-centrosymmetric; hydrophobic; chromophores IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
EP-0474431-A1 Amphiphilic compounds for sequential monolayer deposition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0356041-A2 Non-linear optical element IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-28 EP disclosed