⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL693032 | 1.00 | ALDH1A1 (0.68) | — | |
| SCHEMBL24628 | 1.00 | — | — | |
| SCHEMBL30947435 | 0.97 | — | — | |
| Methane SCHEMBL29266079 | 0.97 | — | — | |
| Water SCHEMBL10740860 | 0.97 | ALDH1A1 (0.65) | — | |
| SCHEMBL3973624 | 0.97 | — | — | |
| SCHEMBL31362107 | 0.97 | — | — | |
| SCHEMBL3973622 | 0.97 | — | — | |
| Iodide SCHEMBL11339544 | 0.97 | — | — | |
| SCHEMBL5382365 | 0.89 | ALDH1A1 (0.71) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1202965-B1 | INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION | VERNALIS RES LTD (GB) | 2004-10-13 | — | — | EP | disclosed |
| US-6706750-B1 | USEFUL IN TREATING OBESITY AND OTHER DISORDERS | VERNALIS RESEARCH LIMITED (GB) | 2004-03-16 | — | — | US | disclosed |