SCHEMBL23828678

SCHEMBL23828678

CC1CCCCCN1CCN1CCCCCC1C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.50
HRH3 Q9Y5N1 9/20 0.47
ALDH1A1 P00352 1/20 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
SCHEMBL18768683 0.97 CXCR4 (0.51) CXCR4HRH3ALDH1A1
SCHEMBL25014448 0.89 CXCR4 (0.46) CXCR4HRH3ALDH1A1
SCHEMBL30603861 0.88 CXCR4 (0.57) CXCR4HRH3ALDH1A1
SCHEMBL23828669 0.88 CXCR4 (0.57) CXCR4HRH3ALDH1A1
SCHEMBL2100958 0.87 CXCR4 (0.45) CXCR4HRH3ALDH1A1
SCHEMBL2100067 0.87 CXCR4 (0.45) CXCR4HRH3ALDH1A1
SCHEMBL30598330 0.86 CXCR4 (0.47) CXCR4HRH3ALDH1A1
SCHEMBL509989 0.86 CXCR4 (0.47) CXCR4HRH3ALDH1A1
SCHEMBL2098979 0.84 CXCR4 (0.46) CXCR4HRH3ALDH1A1
SCHEMBL3252811 0.84 CXCR4 (0.46) CXCR4HRH3

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
US-11306008-B2 Working medium and water treatment system KABUSHIKI KAISHA TOSHIBA (JP) 2022-04-19 US claimed
US-20210292194-A1 WORKING MEDIUM AND WATER TREATMENT SYSTEM KABUSHIKI KAISHA TOSHIBA (JP) 2021-09-23 US claimed
US-11306008-B2 Working medium and water treatment system KABUSHIKI KAISHA TOSHIBA (JP) 2022-04-19 US disclosed
US-20210292194-A1 WORKING MEDIUM AND WATER TREATMENT SYSTEM KABUSHIKI KAISHA TOSHIBA (JP) 2021-09-23 US disclosed