⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7783904 | 0.82 | — | — | |
| SCHEMBL408066 | 0.82 | — | — | |
| Butanone SCHEMBL27889685 | 0.79 | — | — | |
| SCHEMBL27498321 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL21806562 | 0.78 | — | — | |
| Propane SCHEMBL28719059 | 0.78 | — | — | |
| Water SCHEMBL28157030 | 0.78 | — | — | |
| Acetic Acid SCHEMBL21807691 | 0.78 | — | — | |
| Propionic Acid SCHEMBL28329597 | 0.75 | FFAR3 (0.59) | — | |
| Propionamide SCHEMBL10409124 | 0.74 | — | — |
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-1243535-A | Polyurethane latex pressure-sensitive adhesive and preparation method thereof | DOW CHEMICAL CO (US) | 2000-02-02 | — | — | CN | disclosed |