⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19297731 | 0.81 | — | — | |
| SCHEMBL9197131 | 0.72 | — | — | |
| SCHEMBL4579905 | 0.63 | KDM4E (0.32) | — | |
| SCHEMBL9820301 | 0.60 | — | — | |
| SCHEMBL8661917 | 0.60 | OGT (0.31) | — | |
| SCHEMBL7487949 | 0.59 | — | — | |
| SCHEMBL14570099 | 0.58 | IDO1 (0.35) | — | |
| SCHEMBL374866 | 0.57 | CES1 (0.37) | — | |
| SCHEMBL447698 | 0.57 | — | — | |
| SCHEMBL18032691 | 0.57 | GSK3A (0.30) | — |
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-0546102-A1 | TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. | UPJOHN CO (US) | 1993-06-16 | — | — | EP | claimed |
| EP-0546102-A1 | TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. | UPJOHN CO (US) | 1993-06-16 | — | — | EP | disclosed |
| WO-1992004338-A1 | TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES | THE UPJOHN COMPANY (US) | 1992-03-19 | — | — | WO | disclosed |