SCHEMBL6579598

SCHEMBL6579598

C#COCC(N)=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL232408 0.74
SCHEMBL6552793 0.74
SCHEMBL8099153 0.72 MCL1 (0.32)
SCHEMBL9617040 0.69
SCHEMBL3389628 0.67
SCHEMBL345383 0.65
SCHEMBL6887728 0.65 KDM4E (0.41)
SCHEMBL1004562 0.63
SCHEMBL333180 0.63
SCHEMBL28342862 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955295-B1 Therapeutically active levorotatory and dextrorotatory 1-((4-chlorophenyl)phenylmethyl) piperazines UCB SA (BE) 2004-05-19 EP claimed
EP-1413307-A1 Therapeutically active levorotatory and dextrorotatory 1-(4-chlorophenyl)phenylmethyl piperazines UCB S.A. (BE) 2004-04-28 EP claimed
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP claimed
EP-0955295-A1 Therapeutically active levorotatory and dextrorotatory 1-((4-chlorophenyl)phenylmethyl) piperazines UCB, S.A. (BE) 1999-11-10 EP claimed
EP-0617028-A1 Enantiomers of 1-(4-chlorophenyl)phenylmethyl)-4-(4-methylphenyl)sulfonyl piperazine U C B, S.A. (BE) 1994-09-28 EP claimed
EP-0131374-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PENEM DERIVATIVES PFIZER INC. (US) 1988-11-23 EP claimed
EP-0955295-B1 Therapeutically active levorotatory and dextrorotatory 1-((4-chlorophenyl)phenylmethyl) piperazines UCB SA (BE) 2004-05-19 EP disclosed
EP-1413307-A1 Therapeutically active levorotatory and dextrorotatory 1-(4-chlorophenyl)phenylmethyl piperazines UCB S.A. (BE) 2004-04-28 EP disclosed
EP-1413307-A1 Therapeutically active levorotatory and dextrorotatory 1-(4-chlorophenyl)phenylmethyl piperazines UCB S.A. (BE) 2004-04-28 EP disclosed
EP-0617028-B1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl] piperazine UCB SA (BE) 2000-06-14 EP disclosed
EP-0955295-A1 Therapeutically active levorotatory and dextrorotatory 1-((4-chlorophenyl)phenylmethyl) piperazines UCB, S.A. (BE) 1999-11-10 EP disclosed
EP-0955295-A1 Therapeutically active levorotatory and dextrorotatory 1-((4-chlorophenyl)phenylmethyl) piperazines UCB, S.A. (BE) 1999-11-10 EP disclosed