⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7526938 | 0.71 | CSNK1A1 (0.31) | — | |
| SCHEMBL842440 | 0.68 | ADORA2A (0.61) | — | |
| SCHEMBL11007131 | 0.68 | — | — | |
| SCHEMBL29904248 | 0.68 | ADORA2A (0.61) | — | |
| SCHEMBL3158628 | 0.63 | DPP4 (0.50) | — | |
| SCHEMBL6153817 | 0.63 | — | — | |
| SCHEMBL5376356 | 0.57 | ALDH1A1 (0.32) | — | |
| SCHEMBL9194830 | 0.54 | — | — | |
| SCHEMBL6016629 | 0.54 | EGLN1 (0.43) | — | |
| SCHEMBL9465804 | 0.54 | — | — |
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-4558047-A | ANTITUMOR AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1985-12-10 | — | — | US | disclosed |