⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22034705 | 0.85 | DUT (0.31) | — | |
| SCHEMBL22262500 | 0.81 | DUT (0.32) | — | |
| SCHEMBL22262713 | 0.79 | — | — | |
| SCHEMBL22034475 | 0.76 | BCHE (0.46) | — | |
| SCHEMBL22034476 | 0.71 | BCHE (0.48) | — | |
| SCHEMBL22034436 | 0.71 | BCHE (0.48) | — | |
| SCHEMBL15881416 | 0.63 | — | — | |
| SCHEMBL11580466 | 0.62 | DUT (0.42) | — | |
| SCHEMBL6670981 | 0.61 | ALDH1A1 (0.34) | — | |
| SCHEMBL23251029 | 0.61 | KDM4E (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220041641-A1 | QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION | SENDA BIOSCIENCES INC (US) | 2022-02-10 | — | — | US | disclosed |
| EP-3891751-A1 | QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION | Senda Biosciences, Inc. (US) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020118238-A1 | QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION | KINTAI THERAPEUTICS, INC. (US) | 2020-06-11 | — | — | WO | disclosed |