⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7268778 | 0.94 | — | — | |
| Oxalic Acid SCHEMBL7268389 | 0.94 | — | — | |
| Oxalic Acid SCHEMBL7274616 | 0.89 | — | — | |
| SCHEMBL7269299 | 0.82 | — | — | |
| SCHEMBL9718608 | 0.82 | — | — | |
| SCHEMBL7266507 | 0.80 | ALDH1A1 (0.53) | — | |
| SCHEMBL7267635 | 0.79 | — | — | |
| SCHEMBL7268767 | 0.78 | HSD11B1 (0.50) | — | |
| SCHEMBL7273789 | 0.78 | DHFR (0.39) | — | |
| SCHEMBL12943758 | 0.78 | ALDH1A1 (0.47) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0328200-B1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME (GB) | 1993-12-08 | — | — | EP | claimed |
| EP-0328200-A1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME LTD. (GB) | 1989-08-16 | — | — | EP | claimed |
| EP-0328200-B1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME (GB) | 1993-12-08 | — | — | EP | disclosed |
| US-5041456-A | Pharmaceutically useful 3-(indol-3-yl)-1,2,4-oxa- and thiadiazoles substituted in the 5-position by an amino containing group | MERCK SHARP & DOHME LTD. (GB) | 1991-08-20 | — | — | US | disclosed |
| US-4952587-A | PSYCHOLOGICAL DISORDERS, MIGRAINES, ALZHEIMER*S | MERCK SHARP & DOHME LTD. (GB) | 1990-08-28 | — | — | US | disclosed |
| EP-0328200-A1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME LTD. (GB) | 1989-08-16 | — | — | EP | disclosed |