⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28475442 | 0.89 | — | — | |
| SCHEMBL28478083 | 0.88 | — | — | |
| SCHEMBL28475665 | 0.87 | IDO1 (0.33) | — | |
| SCHEMBL28481987 | 0.86 | — | — | |
| SCHEMBL28469587 | 0.85 | IDO1 (0.33) | — | |
| SCHEMBL28478215 | 0.85 | HTR2A (0.30) | — | |
| SCHEMBL28481966 | 0.83 | — | — | |
| SCHEMBL28478114 | 0.83 | — | — | |
| SCHEMBL28467968 | 0.83 | IDO1 (0.31) | — | |
| SCHEMBL28469618 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111825685-A | Novel hematoporphyrin monofluoroalkyl diether and fluorophenylalkyl diether derivatives and application thereof in medical field | 上海先辉医药科技有限公司 | 2020-10-27 | — | — | CN | claimed |
| CN-111825685-A | Novel hematoporphyrin monofluoroalkyl diether and fluorophenylalkyl diether derivatives and application thereof in medical field | 上海先辉医药科技有限公司 | 2020-10-27 | — | — | CN | disclosed |