SCHEMBL14005791

SCHEMBL14005791

C#COC(=O)CCC1(C)OC(=O)C(=C/C=C/C=C/C2=C(O)OC3(CCC4(CC3)OC(=O)C(/C=C/C=C/C=C3C(=O)OC(C)(CCC(=O)OCC)OC3=O)=C(O)O4)OC2=O)C(=O)O1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 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
SCHEMBL12715429 0.93 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12715247 0.91 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12715204 0.90 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12715207 0.89 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12715175 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12216708 0.87 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14196936 0.86 APP (0.31) ALDH1A1
SCHEMBL12744318 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12715233 0.83 PRKCA (0.30) —
SCHEMBL13919343 0.83 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080274423-A1 OPTICAL INFORMATION RECORDING MEDIUM AND METHOD OF RECORDING INFORMATION FUJIFILM CORPORATION (JP) 2008-11-06 — — US disclosed
Send feedback