⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL204338 | 1.00 | — | — | |
| SCHEMBL204337 | 1.00 | — | — | |
| SCHEMBL25322600 | 0.86 | GABRR1 (0.41) | — | |
| SCHEMBL4338255 | 0.86 | GABRR1 (0.41) | — | |
| SCHEMBL13006588 | 0.81 | — | — | |
| SCHEMBL22315077 | 0.81 | — | — | |
| SCHEMBL29220380 | 0.81 | — | — | |
| SCHEMBL18305943 | 0.80 | — | — | |
| SCHEMBL21930790 | 0.80 | TAS1R3 (0.42) | — | |
| SCHEMBL1494486 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112262129-B | Triazacyclododecanesulfonamide (\"TCD\") based protein secretion inhibitors | 科智生命科学公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-112262129-A | Triazacyclododecane sulfonamide (\"TCD\") based protein secretion inhibitors | 科智生命科学公司 | 2021-01-22 | — | — | CN | disclosed |
| US-5637613-A | ANTITUMOR AGENT; IMMUNOSUPPRESSANTS | FOURNIER INDUSTRIE ET SANTE (FR) | 1997-06-10 | — | — | US | disclosed |