⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20704879 | 0.75 | TLR9 (0.32) | — | |
| Hydrochloric Acid SCHEMBL20959440 | 0.74 | TLR9 (0.32) | — | |
| SCHEMBL16397376 | 0.71 | — | — | |
| SCHEMBL9021546 | 0.71 | CYP2C19 (0.37) | — | |
| SCHEMBL16982375 | 0.70 | CYP2C19 (0.40) | — | |
| SCHEMBL10419433 | 0.70 | CYP2C19 (0.40) | — | |
| SCHEMBL8551055 | 0.70 | CYP2C19 (0.40) | — | |
| Hydrochloric Acid SCHEMBL9022156 | 0.70 | CYP2C19 (0.36) | — | |
| SCHEMBL7022546 | 0.68 | — | — | |
| SCHEMBL20959346 | 0.67 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0042753-B1 | NONAPEPTIDE AND DECAPEPTIDE AGONISTS OF LUTEINIZING HORMONE RELEASING HORMONE CONTAINING HETEROCYCLIC AMINO ACID RESIDUES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM, AND THEIR PHARMACEUTICAL USE | SYNTEX (U.S.A.) INC. (US) | 1984-03-21 | — | — | EP | disclosed |
| EP-0042753-A1 | Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues, methods for their preparation, pharmaceutical compounds containing them, and their pharmaceutical use | SYNTEX (U.S.A.) INC. (US) | 1981-12-30 | — | — | EP | disclosed |