⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10370218 | 0.83 | — | — | |
| SCHEMBL10368392 | 0.83 | TDP1 (0.38) | — | |
| SCHEMBL10369406 | 0.81 | NUDT1 (0.31) | — | |
| SCHEMBL10367609 | 0.81 | — | — | |
| SCHEMBL10848859 | 0.78 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL16454314 | 0.76 | HSP90AA1 (0.31) | — | |
| SCHEMBL16454239 | 0.75 | RXRA (0.31) | — | |
| SCHEMBL27692393 | 0.73 | — | — | |
| SCHEMBL12477043 | 0.72 | PIK3CD (0.39) | — | |
| SCHEMBL15884544 | 0.65 | TDP1 (0.39) | — |
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 |