⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9727885 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL15846730 | 0.72 | — | — | |
| SCHEMBL289295 | 0.71 | — | — | |
| SCHEMBL21627975 | 0.65 | FFAR3 (0.35) | — | |
| SCHEMBL1813275 | 0.61 | — | — | |
| Methyl Alcohol SCHEMBL4958474 | 0.61 | FFAR3 (0.32) | — | |
| SCHEMBL1810198 | 0.60 | MEN1 (0.33) | — | |
| SCHEMBL93390 | 0.59 | — | — | |
| SCHEMBL4120577 | 0.59 | NSD2 (0.39) | — | |
| Hydroxyamine SCHEMBL12488720 | 0.59 | FFAR3 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5597405-A | ALKALI METAL DOPED TETRAAZAPORPHYRIN DERIVATIVE | RICOH COMPANY, LTD. (JP) | 1997-01-28 | — | — | US | disclosed |
| US-5506079-A | CONTAINING ALKALI METAL DOPED PORPHYRIN OR TETRAAZAPORPHYRIN DERIVATIVE | RICOH COMPANY, LTD. (JP) | 1996-04-09 | — | — | US | disclosed |