⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL10905148 | 0.94 | — | — | |
| Trimethylammonium SCHEMBL28292865 | 0.94 | — | — | |
| Trimethylammonium SCHEMBL28291433 | 0.89 | LMNA (0.40) | — | |
| Trimethylammonium SCHEMBL11420769 | 0.89 | LMNA (0.40) | — | |
| Trimethylammonium SCHEMBL11572782 | 0.88 | — | — | |
| Trimethylammonium SCHEMBL7721839 | 0.82 | — | — | |
| Chloroform SCHEMBL28184203 | 0.79 | — | — | |
| Trimethylammonium SCHEMBL27522180 | 0.78 | — | — | |
| Trimethylammonium SCHEMBL941893 | 0.75 | — | — | |
| Chloroform SCHEMBL3164509 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5070139-A | PLATELET ACTIVATING FACTOR ANTAGONISTS, HYPOTENSIVES | J. URIACH & CIA. S.A. (ES) | 1991-12-03 | — | — | US | disclosed |
| US-4940706-A | 2,4-disubstituted 1,3-dioxolanes and pharmaceutical use | J. URIACH & CIA, S.A. (ES) | 1990-07-10 | — | — | US | disclosed |
| EP-0312041-A2 | 2,4-Disubstituted 1,3-dioxolanes | J. URIACH & CIA. S.A. (ES) | 1989-04-19 | — | — | EP | disclosed |
| US-4349545-A | Novel erythromycin a derivatives | ROUSSEL UCLAF (FR) | 1982-09-14 | — | — | US | disclosed |