⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21310191 | 0.93 | — | — | |
| SCHEMBL22892174 | 0.88 | MAPT (0.34) | — | |
| SCHEMBL23791717 | 0.87 | MAPT (0.34) | — | |
| SCHEMBL23005770 | 0.78 | MAPT (0.35) | — | |
| SCHEMBL24449163 | 0.78 | MAPT (0.34) | — | |
| SCHEMBL24449164 | 0.77 | MAPT (0.34) | — | |
| SCHEMBL22926378 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL24450035 | 0.69 | MAPT (0.43) | — | |
| SCHEMBL20024339 | 0.69 | MAPT (0.55) | — | |
| SCHEMBL15229939 | 0.69 | KMT2A (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019163733-A1 | GREEN COLORED RESIN COMPOSITION | 住友化学株式会社 | 2019-08-29 | — | — | WO | disclosed |