⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7339260 | 1.00 | — | — | |
| SCHEMBL7337076 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7341949 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7341948 | 0.82 | — | — | |
| SCHEMBL7338464 | 0.80 | — | — | |
| SCHEMBL7338258 | 0.75 | SPHK1 (0.32) | — | |
| SCHEMBL7339938 | 0.75 | — | — | |
| SCHEMBL7339093 | 0.72 | NPC1 (0.37) | — | |
| SCHEMBL7339101 | 0.72 | NPC1 (0.37) | — | |
| SCHEMBL7345730 | 0.69 | CHRM2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 | claimed |
| 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 |