⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28876473 | 0.79 | — | — | |
| SCHEMBL27923881 | 0.79 | — | — | |
| SCHEMBL10931751 | 0.76 | — | — | |
| SCHEMBL8693912 | 0.76 | — | — | |
| SCHEMBL27476071 | 0.72 | — | — | |
| SCHEMBL8136880 | 0.69 | — | — | |
| SCHEMBL24387393 | 0.67 | — | — | |
| SCHEMBL1823756 | 0.64 | — | — | |
| Methylglyoxal SCHEMBL28943178 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL1823754 | 0.64 | — | — |
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-107987071-A | The preparation method of melanoma new drug dabrafenib | 任伟 | 2018-05-04 | — | — | CN | claimed |
| CN-107987071-A | The preparation method of melanoma new drug dabrafenib | 任伟 | 2018-05-04 | — | — | CN | disclosed |
| EP-0497816-A1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. | UNIROYAL CHEMICAL LTD (CA) | 1992-08-12 | — | — | EP | disclosed |
| WO-1991005761-A1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN | UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) | 1991-05-02 | — | — | WO | disclosed |
| US-4149000-A | ANTAGONISTS OF NARCOTIC ANALGESICS | STERLING DRUG INC. (US) | 1979-04-10 | — | — | US | disclosed |
| US-4009171-A | ANTAGONISTS OF NARCOTIC ANALGESICS | STERLING DRUG INC. (US) | 1977-02-22 | — | — | US | disclosed |