⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL387506 | 0.91 | MAOA (0.47) | — | |
| SCHEMBL386775 | 0.91 | MAOA (0.39) | — | |
| SCHEMBL10817005 | 0.79 | — | — | |
| SCHEMBL445228 | 0.78 | — | — | |
| SCHEMBL7172295 | 0.77 | MAOA (0.42) | — | |
| SCHEMBL79201 | 0.77 | MAOA (0.47) | — | |
| SCHEMBL22139652 | 0.75 | — | — | |
| SCHEMBL163556 | 0.74 | — | — | |
| SCHEMBL6284681 | 0.74 | MAOA (0.45) | — | |
| Bromide SCHEMBL29027395 | 0.74 | MAOA (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10449192-B2 | Phthalazinone derivatives | KUDO PHARMACEUTICALS LIMITED (GB) | 2019-10-22 | — | — | US | disclosed |
| US-20180185363-A1 | PHTHALAZINONE DERIVATIVES | KUDOS PHARMACEUTICALS LIMITED (GB) | 2018-07-05 | — | — | US | disclosed |
| US-20170226124-A1 | PHTHALAZINONE DERIVATIVES | KUDOS PHARMACEUTICALS LIMITED (GB) | 2017-08-10 | — | — | US | disclosed |