SCHEMBL9870567

SCHEMBL9870567

C[n+]1cccc(Cl)n1.F[B-](F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.34

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
Iodide SCHEMBL9591326 0.89
SCHEMBL9869892 0.68
SCHEMBL11016888 0.67
SCHEMBL28119509 0.64 TSHR (0.48)
SCHEMBL4901963 0.64
SCHEMBL1752773 0.64 KMT2A (0.44)
SCHEMBL27372085 0.62 TSHR (0.46)
SCHEMBL1564826 0.61 HDAC8 (0.43) HDAC8
SCHEMBL30637701 0.61 HDAC8 (0.44) HDAC8
SCHEMBL1717839 0.59

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
US-5049558-A Quaternized nitrogen-heterocycle substituted IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-17 US disclosed
EP-0164944-B1 CEPHALOSPORIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-11 EP disclosed
EP-0164944-A1 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-18 EP disclosed