⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14549608 | 0.78 | — | — | |
| SCHEMBL17123855 | 0.69 | — | — | |
| SCHEMBL6366396 | 0.59 | — | — | |
| SCHEMBL5410412 | 0.59 | — | — | |
| SCHEMBL165067 | 0.57 | — | — | |
| SCHEMBL28105276 | 0.57 | TSHR (0.33) | — | |
| Water SCHEMBL28098327 | 0.57 | — | — | |
| SCHEMBL7875946 | 0.56 | — | — | |
| SCHEMBL1122292 | 0.55 | — | — | |
| SCHEMBL1142114 | 0.54 | TSHR (0.31) | — |
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-20170291982-A1 | A SELF-HEALING, REPROCESSABLE AND RECYCLABLE CROSSLINKED POLYMER AND PROCESS FOR ITS PREPARATION | FUNDACIÓN CIDETEC (ES) | 2017-10-12 | — | — | US | disclosed |
| US-20170008999-A1 | SELF-HEALING ELASTOMER AND PROCESS FOR ITS PREPARATION | FUNDACIÓN CIDETEC (ES) | 2017-01-12 | — | — | US | disclosed |