SCHEMBL11023633

SCHEMBL11023633

C=CCOCC=C.CC1(C)OCC(CO)O1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CA2 P00918 2/20 0.40
NPSR1 Q6W5P4 1/20 0.33
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL9580528 0.83 ALDH1A1 (0.56) ALDH1A1CA2NPSR1
SCHEMBL9778093 0.83 ALDH1A1 (0.56) ALDH1A1CA2NPSR1
SCHEMBL46416 0.83 ALDH1A1 (0.56) ALDH1A1CA2NPSR1
SCHEMBL8372853 0.83 ALDH1A1 (0.38) ALDH1A1
SCHEMBL221388 0.82
SCHEMBL4965571 0.82 CA2 (0.47) ALDH1A1CA2NPSR1TMEM97SIGMAR1
SCHEMBL220145 0.82
SCHEMBL23556 0.82
Ethylene Glycol SCHEMBL11341777 0.81 CA2 (0.39) ALDH1A1CA2NPSR1TMEM97SIGMAR1
Ammonia Solution, Strong SCHEMBL21775798 0.80 CA2 (0.46) ALDH1A1CA2NPSR1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030807-B1 SHAPED BIOMEDICAL ARTICLES MADE OF POLYSILOXANE POLYMERS BAUSCH & LOMB INCORPORATED (US) 1985-06-19 EP disclosed
EP-0035080-B1 SHAPED BIOMEDICAL ARTICLES FORMED FROM POLYSILOXANE POLYMERS BAUSCH & LOMB INCORPORATED (US) 1984-08-15 EP disclosed
EP-0035080-A1 Shaped biomedical articles formed from polysiloxane polymers BAUSCH & LOMB INCORPORATED (US) 1981-09-09 EP disclosed
EP-0030807-A1 Shaped biomedical articles made of polysiloxane polymers BAUSCH & LOMB INCORPORATED (US) 1981-06-24 EP disclosed
US-4260725-A Hydrophilic contact lens made from polysiloxanes which are thermally bonded to polymerizable groups and which contain hydrophilic sidechains BAUSCH & LOMB INCORPORATED (US) 1981-04-07 US disclosed
US-4259467-A Hydrophilic contact lens made from polysiloxanes containing hydrophilic sidechains BAUSCH & LOMB INCORPORATED (US) 1981-03-31 US disclosed