⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10370307 | 0.81 | — | — | |
| SCHEMBL21719333 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL16454220 | 0.72 | HPGD (0.30) | — | |
| SCHEMBL16454731 | 0.72 | HSP90AA1 (0.32) | — | |
| SCHEMBL27692401 | 0.71 | — | — | |
| SCHEMBL24740665 | 0.70 | — | — | |
| SCHEMBL24740664 | 0.70 | HPGD (0.38) | — | |
| SCHEMBL10369561 | 0.64 | — | — | |
| SCHEMBL26860450 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL21719336 | 0.64 | CNR2 (0.37) | — |
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-0208431-B1 | FUNGICIDAL PYRIDAZINES | ELI LILLY AND COMPANY (US) | 1990-07-11 | — | — | EP | disclosed |
| US-4791110-A | FOR PHYCOMYCETES ON PLANTS | ELI LILLY AND COMPANY (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0208431-A1 | Fungicidal pyridazines | ELI LILLY AND COMPANY (US) | 1987-01-14 | — | — | EP | disclosed |