⚠ 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 SCHEMBL17818145 | 0.99 | — | — | |
| SCHEMBL3277297 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL17818137 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL17818122 | 0.89 | — | — | |
| SCHEMBL3317474 | 0.87 | — | — | |
| SCHEMBL5272321 | 0.84 | — | — | |
| SCHEMBL3273556 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL17818146 | 0.80 | — | — | |
| SCHEMBL3316318 | 0.78 | — | — | |
| SCHEMBL3278790 | 0.78 | — | — |
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-1803742-B1 | PROCESS FOR PRODUCING PROPYLENE POLYMER | MITSUI CHEMICALS INC (JP) | 2010-06-23 | — | — | EP | disclosed |