⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10400500 | 0.76 | — | — | |
| SCHEMBL3250426 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL8384851 | 0.73 | GRIK1 (0.31) | — | |
| SCHEMBL4401537 | 0.72 | — | — | |
| SCHEMBL709351 | 0.70 | — | — | |
| SCHEMBL8299025 | 0.70 | — | — | |
| SCHEMBL4821004 | 0.69 | — | — | |
| SCHEMBL21700271 | 0.69 | — | — | |
| SCHEMBL181264 | 0.69 | — | — | |
| SCHEMBL15824297 | 0.69 | — | — |
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 1 patent. 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 |