⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8837657 | 0.88 | — | — | |
| SCHEMBL245163 | 0.82 | — | — | |
| SCHEMBL8837690 | 0.81 | — | — | |
| SCHEMBL11681076 | 0.78 | — | — | |
| SCHEMBL11616563 | 0.76 | — | — | |
| Perflunafene SCHEMBL7703477 | 0.76 | MEN1 (0.38) | — | |
| SCHEMBL890624 | 0.76 | — | — | |
| SCHEMBL11677495 | 0.75 | — | — | |
| SCHEMBL11611401 | 0.74 | — | — | |
| SCHEMBL246618 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996030006-A9 | NITROSYLATED BLOOD SUBSTITUTES | — | 1996-11-21 | — | — | WO | disclosed |
| US-4105798-A | Perfluoro polycyclic compounds for use as synthetic blood and perfusion media | SUN VENTURES, INC. (US) | 1978-08-08 | — | — | US | disclosed |