⚠ 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 SCHEMBL7194054 | 0.99 | — | — | |
| SCHEMBL27449234 | 0.96 | PDCD1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3270215 | 0.95 | PDCD1 (0.30) | — | |
| SCHEMBL6435255 | 0.87 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7191806 | 0.86 | NPC1 (0.30) | — | |
| SCHEMBL6433411 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7198552 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL6438730 | 0.84 | — | — | |
| SCHEMBL7050090 | 0.84 | PDCD1 (0.30) | — | |
| SCHEMBL6435014 | 0.84 | PDCD1 (0.30) | — |
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-1092730-B1 | PROCESS FOR PRODUCING OLEFIN POLYMER AND OLEFIN POLYMER | MITSUI CHEMICALS INC (JP) | 2005-03-23 | — | — | EP | disclosed |