SCHEMBL2905939

SCHEMBL2905939

C1=CC2C3C=CC(C3)C2C1.C=COC.C=COC

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68

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
Vinyl Ether SCHEMBL13736895 0.87 ALDH1A1 (0.70) ALDH1A1
Propene SCHEMBL8469070 0.87 ALDH1A1 (0.76) ALDH1A1
Methoxymethane SCHEMBL282880 0.87 ALDH1A1 (0.83) ALDH1A1
Vinyl Ether SCHEMBL2905938 0.86 ALDH1A1 (0.63) ALDH1A1
Propene SCHEMBL1274972 0.85 ALDH1A1 (0.73) ALDH1A1
Butadiene SCHEMBL10480207 0.85 ALDH1A1 (0.79) ALDH1A1
Ethylene SCHEMBL3665680 0.82 ALDH1A1 (0.91) ALDH1A1
SCHEMBL24895090 0.82 ALDH1A1 (1.00) ALDH1A1
SCHEMBL20721705 0.82 ALDH1A1 (1.00) ALDH1A1
SCHEMBL11666255 0.82 ALDH1A1 (1.00) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160587-A1 THERMOSETTING RESIN COMPOSITION AND OPTICAL MEMBER USING CURED PRODUCT OF THE THERMOSETTING RESIN COMPOSITION HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-06-24 US disclosed
EP-2141203-A1 THERMOSETTING RESIN COMPOSITION AND OPTICAL MEMBER USING CURED PRODUCT OF THE THERMOSETTING RESIN COMPOSITION Hitachi Chemical Company, Ltd. (JP) 2010-01-06 EP disclosed