⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8159206 | 1.00 | — | — | |
| SCHEMBL910459 | 0.87 | — | — | |
| SCHEMBL910458 | 0.87 | — | — | |
| SCHEMBL14861053 | 0.79 | — | — | |
| SCHEMBL2547609 | 0.71 | — | — | |
| SCHEMBL5314045 | 0.71 | — | — | |
| SCHEMBL6765033 | 0.71 | — | — | |
| SCHEMBL730599 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL18383122 | 0.71 | — | — | |
| SCHEMBL2833644 | 0.71 | TRPA1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6015789-A | LUTEINIZING HORMONE RELEASING HORMONE AGONIST AND A LUTEINIZING HORMONE RELEASING HORMONE ANTAGONIST IN COMBINATION, | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-01-18 | — | — | US | disclosed |
| US-5977132-A | GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-11-02 | — | — | US | disclosed |
| EP-0906115-A1 | COMBINED USE OF GnRH AGONIST AND ANTAGONIST | Takeda Chemical Industries, Ltd. (JP) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997040846-A1 | COMBINED USE OF GnRH AGONIST AND ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-11-06 | — | — | WO | disclosed |
| EP-0781774-A2 | Prolactin production inhibitory agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-02 | — | — | EP | disclosed |