⚠ 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 | |
|---|---|---|---|---|
| Methylsulfanylmethane SCHEMBL6940181 | 1.00 | — | — | |
| Methylsulfanylmethane SCHEMBL2501935 | 1.00 | — | — | |
| Methylsulfanylmethane SCHEMBL4498934 | 1.00 | TSHR (0.43) | — | |
| Methylsulfanylmethane SCHEMBL9413612 | 0.91 | — | — | |
| Methylsulfanylmethane SCHEMBL27928784 | 0.89 | — | — | |
| Methylsulfanylmethane SCHEMBL1618 | 0.89 | — | — | |
| Methylsulfanylmethane SCHEMBL5440614 | 0.89 | — | — | |
| Methylsulfanylmethane SCHEMBL1330443 | 0.89 | — | — | |
| Methylsulfanylmethane SCHEMBL5139388 | 0.80 | — | — | |
| Methylsulfanylmethane SCHEMBL7706316 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118878466-A | Trifluoro-azole and its preparation method | 特里纳普克公司 | 2024-11-01 | — | — | CN | disclosed |
| CN-115038692-B | Trifluoro-azole and its preparation method | 特里纳普克公司 | 2024-07-16 | — | — | CN | disclosed |
| EP-4097089-A1 | TRIFLAZOLES AND METHODS OF MAKING THE SAME | Trinapco, Inc (US) | 2022-12-07 | — | — | EP | disclosed |
| US-11242322-B2 | Triflazoles and methods of making the same | TRINAPCO, INC. (US) | 2022-02-08 | — | — | US | disclosed |
| WO-2021154345-A1 | TRIFLAZOLES AND METHODS OF MAKING THE SAME | TRINAPCO, INC. (US) | 2021-08-05 | — | — | WO | disclosed |
| US-20210238142-A1 | TRIFLAZOLES AND METHODS OF MAKING THE SAME | TRINAPCO, INC. (US) | 2021-08-05 | — | — | US | disclosed |