SCHEMBL9936207

SCHEMBL9936207

C/C=C(\CC)CC(CC)CCC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL27393670 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL13039369 0.73
SCHEMBL19052271 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8399207 0.70 TDP1 (0.41) ALDH1A1
SCHEMBL27860678 0.70
SCHEMBL9318668 0.69 ALDH1A1 (0.44) ALDH1A1
SCHEMBL9318670 0.69 ALDH1A1 (0.44) ALDH1A1
SCHEMBL27651191 0.69 TDP1 (0.40) ALDH1A1
SCHEMBL82509 0.68
SCHEMBL82932 0.68

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-2852596-A1 THIENOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2015-04-01 EP disclosed
WO-2013174744-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 WO disclosed
EP-2651947-A1 6-THIO-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP disclosed
WO-2012080228-A1 6-THIO-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed