⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11126490 | 0.79 | — | — | |
| SCHEMBL1190737 | 0.71 | — | — | |
| SCHEMBL18325113 | 0.71 | — | — | |
| SCHEMBL458233 | 0.71 | — | — | |
| SCHEMBL22417302 | 0.68 | — | — | |
| SCHEMBL14872257 | 0.67 | — | — | |
| SCHEMBL1191368 | 0.67 | — | — | |
| SCHEMBL18042438 | 0.67 | — | — | |
| SCHEMBL2201788 | 0.67 | — | — | |
| SCHEMBL5997087 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997037665-A1 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-10-16 | — | — | WO | claimed |
| US-6229014-B1 | 8-AZASPIRO(4.5)DECANE-1-ONE; ANTIDEPRESSANTS AND TREATMENT OF PSYCHOLIGICAL DISORDERS, SPECIFICALLY MEMORY LOSS | HOECHST MARION ROUSSEL, INC. (FR) | 2001-05-08 | — | — | US | disclosed |