⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1776574 | 1.00 | — | — | |
| SCHEMBL6811070 | 0.69 | — | — | |
| SCHEMBL9940397 | 0.64 | — | — | |
| SCHEMBL13344655 | 0.64 | — | — | |
| Acetaldehyde SCHEMBL1330497 | 0.59 | — | — | |
| Acetaldehyde SCHEMBL3945841 | 0.59 | — | — | |
| Acetaldehyde SCHEMBL2338299 | 0.59 | — | — | |
| Acetaldehyde SCHEMBL1331732 | 0.59 | — | — | |
| Acetaldehyde SCHEMBL20411618 | 0.59 | — | — | |
| Acetaldehyde SCHEMBL27375667 | 0.59 | TSHR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1263735-B1 | ACID ADDITION SALTS OF IMIDAZOLIDINONES AS REACTION CATALYSTS | UNIV CALIFORNIA (US) | 2007-07-04 | — | — | EP | disclosed |
| US-5654478-A | DEESTERIFICATION OF A ALKENYL CARBOXYLATE WITH PRIMARY | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-05 | — | — | US | disclosed |