⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8938212 | 1.00 | — | — | |
| SCHEMBL8938209 | 1.00 | — | — | |
| SCHEMBL8920735 | 0.87 | PARP10 (0.30) | — | |
| SCHEMBL8918184 | 0.76 | MKNK1 (0.32) | — | |
| SCHEMBL8918115 | 0.76 | PARP10 (0.31) | — | |
| SCHEMBL8920796 | 0.75 | PLK4 (0.34) | — | |
| SCHEMBL8920407 | 0.73 | SQOR (0.32) | — | |
| SCHEMBL28018456 | 0.64 | SIRT3 (0.43) | — | |
| SCHEMBL2338841 | 0.63 | NAPRT (0.38) | — | |
| SCHEMBL8938232 | 0.63 | SLC22A12 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5495023-A | VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| WO-1993010097-A1 | NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-05-27 | — | — | WO | disclosed |