⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4576989 | 0.88 | — | — | |
| SCHEMBL8054448 | 0.79 | — | — | |
| SCHEMBL3684733 | 0.76 | — | — | |
| SCHEMBL8655951 | 0.65 | — | — | |
| SCHEMBL7888399 | 0.61 | — | — | |
| SCHEMBL1685316 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL1235416 | 0.57 | SIGMAR1 (0.30) | — | |
| SCHEMBL9123321 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL5071077 | 0.53 | — | — | |
| SCHEMBL3166418 | 0.53 | — | — |
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-A1 | PROCESS FOR PRODUCING PROPYLENE POLYMER | Mitsui Chemicals, Inc. (JP) | 2007-07-04 | — | — | EP | disclosed |