⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28705763 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL28134191 | 0.77 | MMP2 (0.30) | — | |
| SCHEMBL27745824 | 0.77 | — | — | |
| SCHEMBL27339926 | 0.75 | — | — | |
| SCHEMBL27957089 | 0.75 | — | — | |
| SCHEMBL10611469 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL27668274 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL2461932 | 0.73 | CA1 (0.39) | — | |
| SCHEMBL29229507 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL28329869 | 0.73 | CA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109563371-A | Polysiloxane composition comprising having carried out the silanol group of acetal protection | 日产化学株式会社 | 2019-04-02 | — | — | CN | disclosed |