⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12722105 | 0.70 | — | — | |
| SCHEMBL14407171 | 0.70 | — | — | |
| SCHEMBL25811 | 0.69 | — | — | |
| SCHEMBL9596045 | 0.69 | — | — | |
| SCHEMBL7015223 | 0.68 | — | — | |
| SCHEMBL11372760 | 0.67 | — | — | |
| SCHEMBL7249631 | 0.67 | — | — | |
| SCHEMBL18380835 | 0.67 | — | — | |
| SCHEMBL30643428 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL95575 | 0.66 | MEN1 (0.32) | — |
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-5203907-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-20 | — | — | US | disclosed |