⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21189696 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL21189685 | 0.76 | AAK1 (0.37) | — | |
| SCHEMBL22991305 | 0.73 | — | — | |
| SCHEMBL21189697 | 0.72 | — | — | |
| SCHEMBL22737801 | 0.72 | — | — | |
| SCHEMBL21189663 | 0.68 | ESR1 (0.30) | — | |
| SCHEMBL23861436 | 0.68 | TYR (0.44) | — | |
| SCHEMBL22991695 | 0.65 | — | — | |
| SCHEMBL21189657 | 0.64 | ESR1 (0.39) | — | |
| SCHEMBL13917511 | 0.63 | TYR (0.42) | — |
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-20210047457-A1 | COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2021-02-18 | — | — | US | disclosed |
| WO-2019142897-A1 | COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD | 三菱瓦斯化学株式会社 | 2019-07-25 | — | — | WO | disclosed |