⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL321177 | 1.00 | — | — | |
| SCHEMBL7827885 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL27970196 | 0.98 | CA2 (0.52) | — | |
| SCHEMBL27970260 | 0.98 | CA2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL10662871 | 0.98 | CA2 (0.52) | — | |
| SCHEMBL28064037 | 0.98 | CA2 (0.52) | — | |
| SCHEMBL607575 | 0.93 | GPR84 (0.56) | — | |
| SCHEMBL4252514 | 0.93 | GPR84 (0.56) | — | |
| SCHEMBL1157874 | 0.91 | GPR84 (0.59) | — | |
| SCHEMBL135148 | 0.91 | GPR84 (0.59) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| EP-1091958-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001692-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2000-01-13 | — | — | WO | disclosed |