⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL202629 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL3249862 | 0.94 | — | — | |
| SCHEMBL23777897 | 0.87 | LMNA (0.31) | — | |
| SCHEMBL21550182 | 0.87 | — | — | |
| SCHEMBL27491699 | 0.85 | — | — | |
| SCHEMBL2552779 | 0.84 | — | — | |
| SCHEMBL383533 | 0.84 | CYP1A2 (0.32) | — | |
| SCHEMBL24585263 | 0.84 | — | — | |
| SCHEMBL29678759 | 0.84 | CYP1A2 (0.32) | — | |
| SCHEMBL6246306 | 0.84 | — | — |
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-105400133-A | Method for enhancing carbon fiber resin based composite material through organic modified nano-particles | HENGSHEN CO LTD | 2016-03-16 | — | — | CN | disclosed |