⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6670194 | 0.84 | DRD3 (0.40) | — | |
| SCHEMBL6640575 | 0.81 | GNRHR (0.44) | — | |
| Acetic Acid SCHEMBL6672369 | 0.81 | GNRHR (0.42) | — | |
| SCHEMBL4855584 | 0.70 | GNRHR (0.45) | — | |
| SCHEMBL6643215 | 0.70 | GNRHR (0.46) | — | |
| SCHEMBL6638810 | 0.68 | GNRHR (0.53) | — | |
| SCHEMBL6665454 | 0.66 | GNRHR (0.58) | — | |
| SCHEMBL6639084 | 0.66 | CYP2C9 (0.65) | — | |
| SCHEMBL6665257 | 0.65 | CYP2C9 (0.47) | — | |
| SCHEMBL13743102 | 0.65 | GNRHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401427-A4 | NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM | AGOURON PHARMA (US) | 2004-12-01 | — | — | EP | disclosed |
| EP-1401427-A2 | NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM | Agouron Pharmaceuticals, Inc. (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002098363-A2 | NON-PEPTIDE GnRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM | AGOURON PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |