⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13722590 | 0.65 | — | — | |
| SCHEMBL14639047 | 0.61 | — | — | |
| SCHEMBL459880 | 0.61 | — | — | |
| SCHEMBL4929311 | 0.60 | — | — | |
| SCHEMBL4015171 | 0.60 | — | — | |
| SCHEMBL4742508 | 0.60 | — | — | |
| SCHEMBL18795255 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL14968915 | 0.59 | — | — | |
| SCHEMBL2414300 | 0.58 | MAPT (0.56) | — | |
| SCHEMBL9038739 | 0.58 | ALDH1A1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2069312-A2 | PYRIDIZINONE DERIVATIVES | Cephalon, Inc. (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008013838-A2 | PYRIDIZINONE DERIVATIVES | CEPHALON, INC. (US) | 2008-01-31 | — | — | WO | disclosed |
| EP-0730452-A4 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST ROUSSEL PHARMA (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0730452-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST MARION ROUSSEL, Inc. (US) | 1996-09-11 | — | — | EP | disclosed |