⚠ 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 SCHEMBL7194502 | 0.99 | — | — | |
| SCHEMBL6437073 | 0.84 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7195285 | 0.82 | — | — | |
| SCHEMBL6437982 | 0.81 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7191834 | 0.80 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3124408 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL466229 | 0.76 | GPR3 (0.31) | — | |
| SCHEMBL6435234 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7196704 | 0.71 | — | — | |
| SCHEMBL7944357 | 0.71 | — | — |
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 |