⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127838 | 0.83 | — | — | |
| SCHEMBL14566774 | 0.80 | — | — | |
| SCHEMBL822223 | 0.80 | — | — | |
| SCHEMBL822396 | 0.80 | MAPT (0.67) | — | |
| SCHEMBL822244 | 0.80 | MAPT (0.55) | — | |
| SCHEMBL6791512 | 0.79 | PRKCA (0.35) | — | |
| SCHEMBL8213732 | 0.79 | — | — | |
| SCHEMBL24414468 | 0.78 | MAPT (0.53) | — | |
| SCHEMBL444679 | 0.78 | — | — | |
| SCHEMBL24414507 | 0.78 | MAPT (0.53) | — |
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-4252604-A | OPTICAL BRIGHTENERS | SANDOZ LTD. (CH) | 1981-02-24 | — | — | US | disclosed |