⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17699307 | 1.00 | — | — | |
| SCHEMBL4612574 | 0.78 | — | — | |
| SCHEMBL592134 | 0.73 | — | — | |
| SCHEMBL611560 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL16219987 | 0.73 | — | — | |
| SCHEMBL14823815 | 0.73 | — | — | |
| SCHEMBL11653262 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL7893712 | 0.71 | — | — | |
| SCHEMBL16204778 | 0.71 | — | — | |
| SCHEMBL213668 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3668494-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | Psomagen, Inc. (US) | 2020-06-24 | — | — | EP | claimed |
| WO-2019036507-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | uBiome, Inc. (US) | 2019-02-21 | — | — | WO | claimed |
| EP-3668494-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | Psomagen, Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019036507-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | uBiome, Inc. (US) | 2019-02-21 | — | — | WO | disclosed |