⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14845193 | 0.81 | TSHR (0.41) | — | |
| SCHEMBL169182 | 0.79 | — | — | |
| SCHEMBL2052963 | 0.77 | — | — | |
| SCHEMBL4247978 | 0.77 | — | — | |
| SCHEMBL3296338 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27646724 | 0.75 | — | — | |
| SCHEMBL27652499 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL4021280 | 0.73 | — | — | |
| SCHEMBL1991500 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL29987 | 0.72 | — | — |
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-5786352-A | CARDIOVASCULAR DISORDERS, TACHYKININ RECEPTOR ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-07-28 | — | — | US | claimed |