⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butane SCHEMBL7055989 | 0.87 | TSHR (0.53) | — | |
| Butane SCHEMBL532313 | 0.87 | — | — | |
| Butane SCHEMBL4881529 | 0.87 | — | — | |
| Propane SCHEMBL1141401 | 0.86 | — | — | |
| Butane SCHEMBL23674234 | 0.84 | — | — | |
| Pentane SCHEMBL27576376 | 0.84 | — | — | |
| Hexane SCHEMBL9699895 | 0.84 | TSHR (0.63) | — | |
| SCHEMBL27786864 | 0.84 | — | — | |
| Butane SCHEMBL825565 | 0.84 | — | — | |
| Ethyl Chloride SCHEMBL28331887 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1229373-C | Piperidinee derivatives as neurokinin/antagonists | HOFFMANN LA ROCHE (CH) | 2005-11-30 | — | — | CN | disclosed |
| EP-1360184-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2005-03-30 | — | — | EP | disclosed |
| CN-1491222-A | piperidine derivatives as neurokinin 1 antagonists | - | 2004-04-21 | — | — | CN | disclosed |
| EP-1360184-A1 | PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-12 | — | — | EP | disclosed |
| US-6642226-B2 | Such as cis-(3,5-bis-trifluoromethyl-phenyl)-(4-(4-methyl-piperazin-1-yl),-3-phenyl -piperidin-1-yl)-methanone; for treatment of diseases related to neurokinin receptors | HOFFMAN-LA ROCHE INC. | 2003-11-04 | — | — | US | disclosed |
| US-20020151547-A1 | Substituted phenyl-piperidine methanone compounds | F.HOFFMANN-LA ROCHE AG (CH) | 2002-10-17 | — | — | US | disclosed |
| WO-2002062784-A1 | PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-15 | — | — | WO | disclosed |