⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL537611 | 0.74 | — | — | |
| SCHEMBL9312420 | 0.70 | — | — | |
| SCHEMBL20670 | 0.67 | — | — | |
| SCHEMBL9460704 | 0.67 | — | — | |
| SCHEMBL10675754 | 0.67 | — | — | |
| SCHEMBL30185 | 0.66 | — | — | |
| SCHEMBL11668132 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL310744 | 0.65 | — | — | |
| Ethylene SCHEMBL20544036 | 0.65 | — | — | |
| Fluoride SCHEMBL15259556 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4446281-A | Modified cis-1,4-polyisoprene rubber, a process for manufacturing the same, and a composition containing the same | KURARAY CO., LTD. (JP) | 1984-05-01 | — | — | US | disclosed |