⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5320697 | 0.83 | TP53 (0.30) | — | |
| SCHEMBL3882276 | 0.76 | ACHE (0.39) | — | |
| SCHEMBL777552 | 0.76 | ACHE (0.37) | — | |
| SCHEMBL535907 | 0.75 | — | — | |
| SCHEMBL22924898 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL7324061 | 0.72 | — | — | |
| SCHEMBL18720497 | 0.71 | GABRA1 (0.39) | — | |
| SCHEMBL29951660 | 0.71 | LIPG (0.39) | — | |
| SCHEMBL16511614 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL17812980 | 0.71 | KDM4E (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4512989-A | IMIDOESTERS OR IMIDOTHIOESTERS | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 1985-04-23 | — | — | US | claimed |
| WO-2007119600-A9 | CARBAZOLE COMPOUND | OTSUKA PHARMA CO LTD (JP) | 2008-05-02 | — | — | WO | disclosed |
| WO-2007119600-A1 | CARBAZOLE COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-10-25 | — | — | WO | disclosed |
| US-4512989-A | IMIDOESTERS OR IMIDOTHIOESTERS | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 1985-04-23 | — | — | US | disclosed |