⚠ 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 SCHEMBL1248704 | 0.91 | — | — | |
| Acetone SCHEMBL4368545 | 0.86 | — | — | |
| Acetone SCHEMBL27611604 | 0.85 | LMNA (0.75) | — | |
| Acetone SCHEMBL77883 | 0.85 | — | — | |
| Acetone SCHEMBL9194969 | 0.85 | — | — | |
| Acetone SCHEMBL3514680 | 0.80 | — | — | |
| Acetone SCHEMBL27643319 | 0.80 | — | — | |
| Dimethylamine SCHEMBL809651 | 0.80 | — | — | |
| Urea SCHEMBL28543950 | 0.78 | — | — | |
| Acetone SCHEMBL23752034 | 0.76 | LMNA (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4009311-A | Starch-based alkaline curing corrugating adhesives containing, as crosslinking agent, the reaction product of a ketone, formaldehyde and a secondary amine | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1977-02-22 | — | — | US | disclosed |