⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7665254 | 0.90 | — | — | |
| SCHEMBL6924763 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL132722 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL3461600 | 0.83 | — | — | |
| SCHEMBL6658126 | 0.83 | — | — | |
| SCHEMBL3156273 | 0.83 | — | — | |
| SCHEMBL8026352 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL25400687 | 0.81 | — | — | |
| SCHEMBL142907 | 0.79 | — | — | |
| SCHEMBL7934194 | 0.78 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-54077699-A | — | — | None | — | — | JP | disclosed |
| JP-S5477699-A | HEAT RESISTANT EPOXY RESIN COMPOSITION | TORAY IND INC | 1979-06-21 | — | — | JP | disclosed |