⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25362997 | 0.86 | KDM4E (0.44) | — | |
| SCHEMBL13895055 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL15116873 | 0.78 | — | — | |
| SCHEMBL28184505 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL5130904 | 0.76 | FFAR3 (0.35) | — | |
| Lithium Ion SCHEMBL5130900 | 0.74 | — | — | |
| SCHEMBL21916683 | 0.74 | MEN1 (0.36) | — | |
| SCHEMBL15114421 | 0.73 | — | — | |
| SCHEMBL28559321 | 0.73 | — | — | |
| SCHEMBL2679117 | 0.72 | — | — |
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-2008051637-A2 | PYRIDAZINONE COMPOUNDS | ANADYS PHARMACEUTICALS, INC. (US) | 2008-05-02 | — | — | WO | disclosed |
| US-4323570-A | HYPOTENSIVE AGENTS AND TREATING GLAUCOMA | BEIERSDORF AKTIENGESELLSCHAFT (DE) | 1982-04-06 | — | — | US | disclosed |