⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23469096 | 0.91 | NOS3 (0.31) | — | |
| SCHEMBL19025492 | 0.85 | — | — | |
| SCHEMBL20074419 | 0.85 | — | — | |
| SCHEMBL22047239 | 0.83 | — | — | |
| SCHEMBL20865151 | 0.81 | — | — | |
| SCHEMBL23075049 | 0.81 | — | — | |
| SCHEMBL24862084 | 0.81 | — | — | |
| SCHEMBL22333678 | 0.81 | — | — | |
| SCHEMBL20865148 | 0.81 | — | — | |
| SCHEMBL23075077 | 0.81 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230117295-A1 | NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-04-20 | — | — | US | disclosed |
| US-9771281-B2 | Processes and apparatuses for removal of carbon, phosphorus and nitrogen | VALORBEC, S.E.C. (CA) | 2017-09-26 | — | — | US | disclosed |
| US-20100081825-A1 | 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE | TAISHO PHARMACEUTICAL CO LTD (JP) | 2010-04-01 | — | — | US | disclosed |
| EP-2098509-A1 | 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE | Taisho Pharmaceutical Co. Ltd. (JP) | 2009-09-09 | — | — | EP | disclosed |