⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43148 | 0.95 | — | — | |
| SCHEMBL3229564 | 0.95 | — | — | |
| SCHEMBL3257772 | 0.95 | LMNA (0.46) | — | |
| SCHEMBL3293953 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL2970862 | 0.91 | — | — | |
| SCHEMBL31130724 | 0.91 | — | — | |
| SCHEMBL8168236 | 0.91 | — | — | |
| Bromide SCHEMBL2967312 | 0.91 | — | — | |
| SCHEMBL31482974 | 0.91 | LMNA (0.42) | — | |
| SCHEMBL28770311 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102458481-A | Trimethylamine-containing compounds for diagnosis and prediction of disease | CLEVELAND CLINIC FOUNDATION | 2012-05-16 | — | — | CN | disclosed |
| US-6160178-A | Racemization of optically active amines | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-12 | — | — | US | disclosed |