⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6089208 | 1.00 | — | — | |
| SCHEMBL6090338 | 0.85 | MAP4K1 (0.32) | — | |
| SCHEMBL6090329 | 0.85 | MAP4K1 (0.32) | — | |
| SCHEMBL6088654 | 0.81 | KMT2A (0.32) | — | |
| SCHEMBL6088652 | 0.81 | KMT2A (0.32) | — | |
| SCHEMBL6091662 | 0.79 | TLK2 (0.34) | — | |
| SCHEMBL6092389 | 0.79 | — | — | |
| SCHEMBL6091658 | 0.79 | TLK2 (0.34) | — | |
| SCHEMBL6089856 | 0.78 | DAO (0.32) | — | |
| SCHEMBL6088550 | 0.78 | ALDH1A1 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7060822-B1 | 2-pyrazolin-5-ones | ABBOTT GMBH & CO. KG (DE) | 2006-06-13 | — | — | US | disclosed |