⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL1379842 | 0.80 | — | — | |
| SCHEMBL128859 | 0.78 | — | — | |
| Acetone SCHEMBL10855260 | 0.76 | LMNA (0.60) | — | |
| Acetone SCHEMBL29098211 | 0.76 | LMNA (0.60) | — | |
| Acetone SCHEMBL39581 | 0.76 | — | — | |
| Acetone SCHEMBL10768381 | 0.76 | LMNA (0.60) | — | |
| Acetone SCHEMBL8505655 | 0.76 | LMNA (0.60) | — | |
| Acetone SCHEMBL77883 | 0.75 | — | — | |
| Acetone SCHEMBL728794 | 0.75 | — | — | |
| Acetone SCHEMBL1453436 | 0.75 | — | — |
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-108137762-A | Actinic energy ray curable resion composition and its manufacturing method | 日本合成化学工业株式会社 | 2018-06-08 | — | — | CN | disclosed |