⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10609836 | 0.83 | — | — | |
| SCHEMBL11279278 | 0.82 | — | — | |
| SCHEMBL9054939 | 0.69 | — | — | |
| SCHEMBL11281845 | 0.67 | — | — | |
| SCHEMBL9053756 | 0.67 | — | — | |
| SCHEMBL9058464 | 0.66 | GNAI3 (0.35) | — | |
| SCHEMBL29883035 | 0.66 | — | — | |
| SCHEMBL6661552 | 0.66 | — | — | |
| Ammonia Solution, Strong SCHEMBL7557616 | 0.65 | — | — | |
| SCHEMBL12548408 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0002938-B1 | NOVEL HETEROCYCLIC CARBOTHIOAMIDES, COMPOSITIONS CONTAINING THEM, THEIR PREPARATION AND USE | ELI LILLY AND COMPANY (US) | 1982-05-12 | — | — | EP | disclosed |
| US-4289766-A | Heterocyclic carbothioamides | ELI LILLY AND COMPANY (US) | 1981-09-15 | — | — | US | disclosed |
| EP-0002938-A2 | Novel heterocyclic carbothioamides, compositions containing them, their preparation and use | ELI LILLY AND COMPANY (US) | 1979-07-11 | — | — | EP | disclosed |