⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5155580 | 0.81 | TSHR (0.48) | — | |
| SCHEMBL23631862 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL5155590 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL525599 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL28237871 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL30630572 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL28715577 | 0.75 | TSHR (0.42) | — | |
| Methylamine SCHEMBL28165901 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL14848234 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL7266590 | 0.73 | TSHR (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1082291-A1 | CHEMICAL PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF R-(-)-CARNITINE | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062864-A1 | CHEMICAL PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF R-(-)-CARNITINE | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1999-12-09 | — | — | WO | disclosed |