⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9870768 | 0.81 | — | — | |
| SCHEMBL4514852 | 0.79 | — | — | |
| SCHEMBL2910902 | 0.78 | — | — | |
| SCHEMBL12816415 | 0.76 | — | — | |
| SCHEMBL9332624 | 0.76 | — | — | |
| SCHEMBL2117720 | 0.74 | — | — | |
| SCHEMBL2698984 | 0.72 | — | — | |
| SCHEMBL3922261 | 0.72 | — | — | |
| SCHEMBL291835 | 0.72 | — | — | |
| SCHEMBL15272272 | 0.72 | KDM4E (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0421441-B1 | Pantothenic acid derivatives | FUJIREBIO KK (JP) | 1995-01-25 | — | — | EP | disclosed |
| US-5120738-A | Cardiovascular disorders | FUJIREBIO INC. (JP) | 1992-06-09 | — | — | US | disclosed |
| EP-0421441-A2 | Pantothenic acid derivatives | FUJIREBIO INC. (JP) | 1991-04-10 | — | — | EP | disclosed |