⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2521792 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL4616322 | 0.77 | — | — | |
| SCHEMBL73805 | 0.75 | — | — | |
| SCHEMBL30704922 | 0.73 | — | — | |
| SCHEMBL3541977 | 0.73 | — | — | |
| SCHEMBL2132087 | 0.73 | — | — | |
| SCHEMBL29617174 | 0.73 | — | — | |
| SCHEMBL11012628 | 0.72 | — | — | |
| SCHEMBL9398500 | 0.71 | — | — | |
| SCHEMBL732804 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5977132-A | GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-11-02 | — | — | US | disclosed |
| US-4914116-A | Nitrogen-containing heterocyclic compounds, and their use as insecticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-04-03 | — | — | US | disclosed |
| US-4847259-A | Nitrogen-containing heterocyclic compounds, and use as insecticide | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1989-07-11 | — | — | US | disclosed |
| US-4714706-A | JUVENILE HORMONE INHIBITORS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-12-22 | — | — | US | disclosed |
| EP-0203798-A2 | Nitrogen-containing heterocyclic compounds, and their production and use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-12-03 | — | — | EP | disclosed |