⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19865575 | 0.78 | — | — | |
| SCHEMBL19928366 | 0.78 | — | — | |
| SCHEMBL18712782 | 0.68 | — | — | |
| SCHEMBL14549289 | 0.64 | — | — | |
| SCHEMBL19250386 | 0.63 | CA1 (0.34) | — | |
| SCHEMBL22554450 | 0.61 | CA1 (0.33) | — | |
| SCHEMBL19915329 | 0.61 | — | — | |
| SCHEMBL1819590 | 0.61 | — | — | |
| SCHEMBL2434740 | 0.61 | — | — | |
| SCHEMBL20665999 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200362113-A1 | RESIN COMPOSITION | TORAY INDUSTRIES, INC. (JP) | 2020-11-19 | — | — | US | disclosed |