⚠ 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 | |
|---|---|---|---|---|
| Formamide SCHEMBL3398816 | 0.86 | — | — | |
| Formic Acid SCHEMBL198180 | 0.57 | — | — | |
| Formic Acid SCHEMBL11420264 | 0.57 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL11064588 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL6481058 | 0.54 | — | — | |
| SCHEMBL35997 | 0.51 | — | — | |
| SCHEMBL18285 | 0.51 | — | — | |
| SCHEMBL724735 | 0.51 | — | — | |
| SCHEMBL23089736 | 0.46 | — | — | |
| SCHEMBL23458655 | 0.46 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6093739-A | Synthesis of long wavelength absorbing photosensitizers | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2000-07-25 | — | — | US | disclosed |