⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL214700 | 0.72 | — | — | |
| SCHEMBL29890200 | 0.60 | — | — | |
| SCHEMBL6972048 | 0.60 | — | — | |
| SCHEMBL23563389 | 0.60 | — | — | |
| SCHEMBL3963980 | 0.60 | — | — | |
| SCHEMBL4857261 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL11202842 | 0.57 | ALDH1A1 (0.36) | — | |
| Hypochlorous Acid SCHEMBL11409193 | 0.55 | — | — | |
| SCHEMBL38395 | 0.55 | — | — | |
| SCHEMBL15142390 | 0.55 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5998496-A | ABSORBING RADIATION | SPECTRA GROUP LIMITED, INC. (US) | 1999-12-07 | — | — | US | disclosed |
| EP-0871607-A4 | PHOTOSENSITIVE INTRAMOLECULAR ELECTRON TRANSFER COMPOUNDS | SPECTRA GROUP LTD INC (US) | 1999-09-29 | — | — | EP | disclosed |
| EP-0871607-A1 | PHOTOSENSITIVE INTRAMOLECULAR ELECTRON TRANSFER COMPOUNDS | SPECTRA GROUP LIMITED INC (US) | 1998-10-21 | — | — | EP | disclosed |
| WO-1997016406-A1 | PHOTOSENSITIVE INTRAMOLECULAR ELECTRON TRANSFER COMPOUNDS | SPECTRA GROUP LIMITED, INC. (US) | 1997-05-09 | — | — | WO | disclosed |