⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15823650 | 0.78 | — | — | |
| SCHEMBL8087804 | 0.77 | — | — | |
| SCHEMBL19029406 | 0.76 | — | — | |
| SCHEMBL15825230 | 0.74 | — | — | |
| SCHEMBL5422808 | 0.74 | — | — | |
| SCHEMBL15824124 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL15823418 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL19052669 | 0.73 | — | — | |
| SCHEMBL19029451 | 0.71 | GRIK1 (0.35) | — | |
| SCHEMBL3861512 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6117944-A | Curable composition | KANAGAWA UNIVERSITY (JP) | 2000-09-12 | — | — | US | claimed |
| US-6117944-A | Curable composition | KANAGAWA UNIVERSITY (JP) | 2000-09-12 | — | — | US | disclosed |
| JP-2000072869-A | HARDENABLE COMPOSITION | UNIV KANAGAWA | 2000-03-07 | — | — | JP | disclosed |