⚠ 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 SCHEMBL11653058 | 0.93 | — | — | |
| Trimethylammonium SCHEMBL16052473 | 0.84 | — | — | |
| Trimethylammonium SCHEMBL11615551 | 0.84 | — | — | |
| Trimethylammonium SCHEMBL27839301 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL28101944 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL28245967 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL28218291 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL13989274 | 0.76 | — | — | |
| Trimethylammonium SCHEMBL284438 | 0.76 | — | — | |
| Trimethylammonium SCHEMBL5310222 | 0.76 | — | — |
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-4026909-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1977-05-31 | — | — | US | disclosed |