⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1926425 | 1.00 | — | — | |
| Methane SCHEMBL1276943 | 0.78 | CA1 (0.39) | — | |
| Methane SCHEMBL2803151 | 0.75 | CA1 (0.38) | — | |
| SCHEMBL820409 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL439067 | 0.74 | CA1 (0.41) | — | |
| SCHEMBL8104271 | 0.74 | CA1 (0.41) | — | |
| SCHEMBL15034 | 0.74 | CA1 (0.41) | — | |
| SCHEMBL2860232 | 0.74 | CA1 (0.41) | — | |
| SCHEMBL15195848 | 0.74 | CA1 (0.41) | — | |
| SCHEMBL732959 | 0.74 | CA1 (0.41) | — |
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-20040116709-A1 | Process for producing optically active n-aryl-1-amino-2-propanol derivatives | KANEKA CORPORATION (JP) | 2004-06-17 | — | — | US | disclosed |
| EP-1367053-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES | KANEKA CORPORATION (JP) | 2003-12-03 | — | — | EP | disclosed |