⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10960746 | 0.84 | — | — | |
| SCHEMBL9028897 | 0.76 | NOS3 (0.37) | — | |
| SCHEMBL525984 | 0.74 | — | — | |
| SCHEMBL1400990 | 0.74 | — | — | |
| SCHEMBL1053003 | 0.73 | — | — | |
| SCHEMBL17581113 | 0.73 | — | — | |
| SCHEMBL34463184 | 0.72 | — | — | |
| SCHEMBL6275922 | 0.71 | NOS3 (0.34) | — | |
| SCHEMBL6275927 | 0.71 | NOS3 (0.34) | — | |
| SCHEMBL3639511 | 0.69 | — | — |
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 |