⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8056225 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL9688066 | 0.76 | NPC1 (0.31) | — | |
| SCHEMBL8061952 | 0.76 | CYP1A2 (0.38) | — | |
| SCHEMBL755570 | 0.75 | — | — | |
| SCHEMBL13802271 | 0.74 | — | — | |
| SCHEMBL15796727 | 0.73 | COMT (0.42) | — | |
| SCHEMBL12806717 | 0.73 | — | — | |
| SCHEMBL26362389 | 0.73 | PDE2A (0.33) | — | |
| SCHEMBL11591941 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL1158268 | 0.73 | PTGDR2 (0.40) | — |
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-0889034-B1 | AMINOPYRIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2003-09-17 | — | — | EP | disclosed |
| US-6011039-A | USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-01-04 | — | — | US | disclosed |
| EP-0889034-A1 | AMINOPYRIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-01-07 | — | — | EP | disclosed |
| US-RE29843-E | Substituted thiazoles and flavoring processes and products produced thereby | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-11-21 | — | — | US | disclosed |