⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL414949 | 0.98 | — | — | |
| 2-Ethylfuran SCHEMBL25423480 | 0.91 | RAB9A (0.44) | — | |
| Formic Acid SCHEMBL28733652 | 0.86 | RAB9A (0.48) | — | |
| SCHEMBL6244665 | 0.84 | RAB9A (0.40) | — | |
| SCHEMBL256700 | 0.84 | — | — | |
| SCHEMBL28079650 | 0.82 | — | — | |
| Fluoride SCHEMBL28194628 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL221257 | 0.82 | ALDH1A1 (0.56) | — | |
| SCHEMBL8146532 | 0.82 | ALDH1A1 (0.54) | — | |
| Propanol SCHEMBL28843016 | 0.81 | RAB9A (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117903661-A | Double-chamber microcapsule-containing photo-thermal response epoxy self-repairing coating and preparation method thereof | 南京林业大学 | 2024-04-19 | — | — | CN | claimed |
| CN-117903661-A | Double-chamber microcapsule-containing photo-thermal response epoxy self-repairing coating and preparation method thereof | 南京林业大学 | 2024-04-19 | — | — | CN | disclosed |