⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5502351 | 0.79 | — | — | |
| SCHEMBL5549485 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL19860528 | 0.69 | HSD17B10 (0.55) | — | |
| SCHEMBL27449327 | 0.68 | GAA (0.42) | — | |
| SCHEMBL22112759 | 0.64 | FFAR4 (0.32) | — | |
| SCHEMBL23554965 | 0.64 | HPGD (0.48) | — | |
| SCHEMBL11762144 | 0.64 | MAPT (0.48) | — | |
| SCHEMBL20715471 | 0.63 | SIGMAR1 (0.39) | — | |
| SCHEMBL8867721 | 0.63 | TDP1 (0.50) | — | |
| SCHEMBL8867715 | 0.63 | FFAR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016131381-A1 | FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF | SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) | 2016-08-25 | — | — | WO | disclosed |