⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14532295 | 0.75 | — | — | |
| SCHEMBL13958209 | 0.71 | CYP2D6 (0.37) | — | |
| SCHEMBL16622953 | 0.68 | HTR2C (0.33) | — | |
| SCHEMBL13488455 | 0.68 | HTR2A (0.35) | — | |
| SCHEMBL14652770 | 0.67 | — | — | |
| SCHEMBL28870747 | 0.67 | — | — | |
| SCHEMBL16181722 | 0.67 | — | — | |
| SCHEMBL21549432 | 0.67 | — | — | |
| SCHEMBL23222815 | 0.66 | CYP1A2 (0.31) | — | |
| SCHEMBL13185718 | 0.65 | KDM4E (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023136342-A1 | TSP1 INHIBITOR | 第一三共株式会社 | 2023-07-20 | — | — | WO | disclosed |
| WO-2023126945-A1 | METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE | NEURODERM, LTD. (IL) | 2023-07-06 | — | — | WO | disclosed |
| EP-2138498-A1 | Substituted tricyclic derivatives against neurodegenerative diseases | sanofi-aventis (FR) | 2009-12-30 | — | — | EP | disclosed |
| WO-2009119088-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |
| WO-2008012546-A2 | AZAPEPTIDES FOR USE IN THERAPY AGAINST INTERSTITIAL CYSTITIS | SOSEI CO. LTD. (JP) | 2008-01-31 | — | — | WO | disclosed |