⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28460091 | 0.80 | — | — | |
| SCHEMBL4351657 | 0.78 | ROCK2 (0.36) | — | |
| SCHEMBL551776 | 0.78 | — | — | |
| SCHEMBL543624 | 0.74 | — | — | |
| SCHEMBL15239908 | 0.74 | — | — | |
| SCHEMBL2566480 | 0.70 | — | — | |
| SCHEMBL12002975 | 0.68 | — | — | |
| SCHEMBL28458913 | 0.68 | — | — | |
| SCHEMBL28348358 | 0.68 | — | — | |
| SCHEMBL1608791 | 0.67 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112625246-A | Terminally functionalized polymers and related methods | 株式会社普利司通 | 2021-04-09 | — | — | CN | disclosed |
| CN-111630075-A | Functionalized polymer, method for preparing the same and rubber composition containing the same | 株式会社普利司通 | 2020-09-04 | — | — | CN | disclosed |