SCHEMBL13645426

SCHEMBL13645426

FC1CCC(C2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL13714369 1.00 ALDH1A1 (0.53) ALDH1A1SLC18A3
SCHEMBL13439438 1.00 ALDH1A1 (0.53) ALDH1A1SLC18A3
SCHEMBL14640974 0.90 ALDH1A1 (0.47) ALDH1A1
SCHEMBL24425430 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8134929 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16878797 0.82 ALDH1A1 (0.80) ALDH1A1SLC18A3
SCHEMBL672636 0.82 ALDH1A1 (0.80) ALDH1A1SLC18A3
SCHEMBL9141553 0.82 ALDH1A1 (0.80) ALDH1A1SLC18A3
SCHEMBL136384 0.82
SCHEMBL434235 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471774-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
EP-2108690-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP disclosed
EP-1908811-A1 Liquid crystalline medium Merck Patent GmbH (DE) 2008-04-09 EP disclosed