⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6550937 | 0.85 | — | — | |
| SCHEMBL12687548 | 0.82 | — | — | |
| SCHEMBL16384275 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL1161884 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL16309022 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL23906174 | 0.70 | — | — | |
| SCHEMBL3336298 | 0.69 | MEN1 (0.30) | — | |
| SCHEMBL3336301 | 0.69 | MEN1 (0.30) | — | |
| SCHEMBL3829401 | 0.69 | — | — | |
| SCHEMBL1161579 | 0.69 | TSHR (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0578080-B1 | 3,9-disubstituted-spiro (5.5)undecanes active on the cardiovascular system, process for their preparation and pharmaceutical composition containing same | SIGMA TAU IND FARMACEUTI (IT) | 1997-04-23 | — | — | EP | disclosed |
| US-5444082-A | Treats hypertension and heart failure | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1995-08-22 | — | — | US | disclosed |
| EP-0578080-A2 | 3,9-disubstituted-spiro (5.5)undecanes active on the cardiovascular system, process for their preparation and pharmaceutical composition containing same | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1994-01-12 | — | — | EP | disclosed |