⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24653140 | 0.84 | CACNA2D1 (0.65) | — | |
| SCHEMBL7907883 | 0.84 | — | — | |
| SCHEMBL27799587 | 0.77 | — | — | |
| SCHEMBL27711954 | 0.77 | — | — | |
| SCHEMBL28766834 | 0.75 | CACNA2D1 (0.56) | — | |
| SCHEMBL28993340 | 0.75 | — | — | |
| SCHEMBL23391156 | 0.75 | — | — | |
| SCHEMBL5322429 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28671037 | 0.73 | CACNA2D1 (0.59) | — | |
| SCHEMBL28916622 | 0.73 | CACNA2D1 (0.54) | — |
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-115505054-A | Modified epoxidized rubber and preparation method and application thereof | 江苏麒祥高新材料有限公司 | 2022-12-23 | — | — | CN | disclosed |