⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27747647 | 1.00 | — | — | |
| SCHEMBL2489536 | 1.00 | — | — | |
| SCHEMBL16429627 | 1.00 | — | — | |
| SCHEMBL27410996 | 1.00 | — | — | |
| SCHEMBL8994190 | 1.00 | — | — | |
| SCHEMBL15211 | 1.00 | — | — | |
| SCHEMBL23906726 | 0.71 | — | — | |
| Water SCHEMBL7196932 | 0.71 | — | — | |
| Bromide SCHEMBL338782 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7943332 | 0.71 | — | — |
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-116583412-A | Rubber composition, rubber-metal composite, hose, conveyor belt, rubber crawler belt and tire | 株式会社普利司通 | 2023-08-11 | — | — | CN | disclosed |