⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20865368 | 0.82 | — | — | |
| SCHEMBL8055124 | 0.80 | — | — | |
| SCHEMBL30203017 | 0.78 | — | — | |
| SCHEMBL8051926 | 0.76 | — | — | |
| SCHEMBL8051927 | 0.76 | — | — | |
| SCHEMBL24700127 | 0.73 | — | — | |
| SCHEMBL6130540 | 0.73 | — | — | |
| SCHEMBL18570929 | 0.71 | — | — | |
| SCHEMBL27558350 | 0.71 | — | — | |
| SCHEMBL14767529 | 0.69 | KMT2A (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10849866-B2 | Methods for inhibiting conversion of choline to trimethylamine (TMA) | THE PROCTER & GAMBLE COMPANY (US) | 2020-12-01 | — | — | US | disclosed |
| US-20190099390-A1 | METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) | THE CLEVELAND CLINIC FOUNDATION | 2019-04-04 | — | — | US | disclosed |