⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8744166 | 0.81 | — | — | |
| SCHEMBL24836130 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL26215420 | 0.69 | — | — | |
| SCHEMBL3671273 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL17453160 | 0.65 | — | — | |
| SCHEMBL12425174 | 0.65 | — | — | |
| SCHEMBL1143867 | 0.65 | — | — | |
| SCHEMBL9892 | 0.65 | — | — | |
| SCHEMBL1381822 | 0.65 | — | — | |
| SCHEMBL649143 | 0.65 | — | — |
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-5696132-A | MICROBIOCIDES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1997-12-09 | — | — | US | disclosed |
| EP-0593766-A1 | PYRIDONECARBOXYLIC ACID DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |