⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22273176 | 0.80 | — | — | |
| SCHEMBL20033726 | 0.79 | — | — | |
| SCHEMBL199578 | 0.72 | — | — | |
| SCHEMBL9353531 | 0.72 | — | — | |
| SCHEMBL3655509 | 0.70 | — | — | |
| SCHEMBL13102747 | 0.70 | — | — | |
| SCHEMBL197462 | 0.70 | — | — | |
| SCHEMBL27000130 | 0.70 | — | — | |
| SCHEMBL23940169 | 0.69 | TAS1R3 (0.33) | — | |
| SCHEMBL27914614 | 0.67 | — | — |
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-106397739-B | Improved epoxy and amine polymer systems and methods for making the same | 瀚森公司 | 2020-02-14 | — | — | CN | disclosed |