⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21268794 | 0.68 | — | — | |
| SCHEMBL22418394 | 0.66 | ADORA3 (0.36) | — | |
| SCHEMBL7855427 | 0.61 | — | — | |
| Bicarbonate SCHEMBL28859124 | 0.60 | MAPT (0.38) | — | |
| SCHEMBL29379160 | 0.59 | — | — | |
| SCHEMBL30688529 | 0.58 | PIM1 (0.36) | — | |
| SCHEMBL31678255 | 0.57 | SIRT3 (0.38) | — | |
| SCHEMBL7263753 | 0.56 | NNMT (0.33) | — | |
| SCHEMBL9683514 | 0.55 | GAA (0.46) | — | |
| SCHEMBL35212107 | 0.55 | — | — |
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-2018086703-A1 | DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | claimed |
| WO-2018086703-A1 | DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |