⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5865632 | 0.80 | SLC22A6 (0.50) | — | |
| SCHEMBL20377439 | 0.79 | ALOX15 (0.46) | — | |
| SCHEMBL16690276 | 0.79 | THRB (0.46) | — | |
| SCHEMBL3361095 | 0.79 | — | — | |
| SCHEMBL18782546 | 0.79 | THRB (0.46) | — | |
| SCHEMBL2152330 | 0.78 | — | — | |
| SCHEMBL2130500 | 0.78 | — | — | |
| SCHEMBL3374857 | 0.78 | — | — | |
| SCHEMBL21654408 | 0.77 | — | — | |
| SCHEMBL3628034 | 0.76 | ALOX15 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105853993-B | Analogs of 3,5-dihydroxypentanoic acid for osteogenesis | 高雄医学大学 | 2021-08-13 | — | — | CN | disclosed |