⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2486879 | 0.55 | — | — | |
| SCHEMBL27805069 | 0.49 | — | — | |
| SCHEMBL28645287 | 0.47 | — | — | |
| SCHEMBL1465460 | 0.44 | — | — | |
| SCHEMBL357159 | 0.42 | — | — | |
| SCHEMBL30350024 | 0.41 | — | — | |
| Water SCHEMBL8079813 | 0.41 | — | — | |
| SCHEMBL29073024 | 0.41 | — | — | |
| Phosphine SCHEMBL28911372 | 0.41 | — | — | |
| SCHEMBL890278 | 0.41 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003785-B2 | Halo-substituted pyrimidodiazepines | TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) | 2011-08-23 | — | — | US | disclosed |