⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6255946 | 0.98 | — | — | |
| SCHEMBL4633560 | 0.81 | L3MBTL1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL6228068 | 0.80 | L3MBTL1 (0.35) | — | |
| SCHEMBL4633082 | 0.76 | L3MBTL1 (0.33) | — | |
| SCHEMBL8578906 | 0.68 | — | — | |
| SCHEMBL13947267 | 0.68 | CA12 (0.33) | — | |
| Carbon Monoxide SCHEMBL4278019 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6255950 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL12822131 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9077422 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1520862-B1 | Butadiene polymer, and process for producing conjugated diene polymer | AGENCY IND SCIENCE TECHN (JP) | 2008-05-28 | — | — | EP | disclosed |