⚠ 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 | |
|---|---|---|---|---|
| Tromethamine SCHEMBL975 | 0.69 | — | — | |
| Tromethamine SCHEMBL17484 | 0.69 | MEN1 (1.00) | — | |
| Tromethamine SCHEMBL3696191 | 0.69 | — | — | |
| SCHEMBL3076482 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL17460458 | 0.67 | — | — | |
| Tromethamine SCHEMBL14250510 | 0.67 | MEN1 (0.77) | — | |
| SCHEMBL25763454 | 0.67 | POLB (0.41) | — | |
| Tromethamine SCHEMBL7126002 | 0.66 | — | — | |
| Tromethamine SCHEMBL445853 | 0.66 | MEN1 (0.91) | — | |
| Tromethamine SCHEMBL2035496 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5952316-A | FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1999-09-14 | — | — | US | disclosed |
| US-5719176-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-02-17 | — | — | US | disclosed |
| US-5604229-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-02-18 | — | — | US | disclosed |
| EP-0627406-A1 | 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-12-07 | — | — | EP | disclosed |