⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6637381 | 0.80 | CA2 (0.39) | — | |
| SCHEMBL128581 | 0.79 | — | — | |
| SCHEMBL6636882 | 0.77 | ZDHHC7 (0.42) | — | |
| SCHEMBL128254 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL11468024 | 0.76 | — | — | |
| SCHEMBL19821869 | 0.76 | EPHX2 (0.34) | — | |
| SCHEMBL2984658 | 0.74 | MGAM (0.46) | — | |
| SCHEMBL6207422 | 0.74 | ESR1 (0.32) | — | |
| SCHEMBL13010530 | 0.72 | KLK7 (0.32) | — | |
| SCHEMBL126712 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1119634-B1 | ENZYME-CATALYZED RACEMIC CLEAVAGE OF PRIMARY AMINES | BASF AG (DE) | 2004-05-26 | — | — | EP | disclosed |
| US-6465223-B1 | Enzyme-catalyzed racemic cleavage of primary amines | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-15 | — | — | US | disclosed |
| EP-1119634-A1 | ENZYME-CATALYZED RACEMIC CLEAVAGE OF PRIMARY AMINES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000011203-A1 | ENZYME-CATALYZED RACEMIC CLEAVAGE OF PRIMARY AMINES | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-02 | — | — | WO | disclosed |