⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7075285 | 0.88 | HDAC3 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL7073374 | 0.88 | HDAC3 (0.32) | — | |
| SCHEMBL7071200 | 0.86 | HDAC3 (0.33) | — | |
| SCHEMBL7071731 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL7078547 | 0.84 | DRD2 (0.35) | — | |
| SCHEMBL7071201 | 0.83 | USP2 (0.32) | — | |
| SCHEMBL7076718 | 0.83 | — | — | |
| SCHEMBL7071473 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7071701 | 0.82 | HDAC3 (0.34) | — | |
| SCHEMBL7075894 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030109523-A1 | Bicyclic antagonists selective for the alphavbeta3 integrin | WYETH (US) | 2003-06-12 | — | — | US | claimed |
| US-6429214-B1 | INHIBITORS OF BONE RESORPTION | WYETH | 2002-08-06 | — | — | US | claimed |
| US-20030109523-A1 | Bicyclic antagonists selective for the alphavbeta3 integrin | WYETH (US) | 2003-06-12 | — | — | US | disclosed |
| US-6429214-B1 | INHIBITORS OF BONE RESORPTION | WYETH | 2002-08-06 | — | — | US | disclosed |