SCHEMBL9833688

SCHEMBL9833688

C1CCCCC(C2CCCCCOCC2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL10503991 1.00 ALDH1A1 (0.47) ALDH1A1
SCHEMBL7998866 1.00 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9377210 0.94 ALDH1A1 (0.47) ALDH1A1
SCHEMBL13809358 0.94 ALDH1A1 (0.53) ALDH1A1
SCHEMBL10503143 0.91 ALDH1A1 (0.50) ALDH1A1
SCHEMBL23330238 0.91 ALDH1A1 (0.57) ALDH1A1
Tetrahydrofuran SCHEMBL6131332 0.91 ALDH1A1 (0.57) ALDH1A1
SCHEMBL16877701 0.85 ALDH1A1 (0.41) ALDH1A1
SCHEMBL15796838 0.85 ALDH1A1 (0.50) ALDH1A1
Biphenyl SCHEMBL5182785 0.84 ALDH1A1 (0.57) 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
EP-0457802-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 EP disclosed
WO-1990009383-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-23 WO disclosed