⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30975139 | 1.00 | — | — | |
| SCHEMBL25508771 | 1.00 | CA1 (0.43) | — | |
| SCHEMBL25508767 | 1.00 | CA1 (0.43) | — | |
| SCHEMBL2108347 | 1.00 | — | — | |
| SCHEMBL25508780 | 1.00 | CA1 (0.43) | — | |
| SCHEMBL5112846 | 0.97 | — | — | |
| SCHEMBL89286 | 0.88 | — | — | |
| SCHEMBL2107165 | 0.67 | — | — | |
| SCHEMBL2745717 | 0.67 | — | — | |
| SCHEMBL434759 | 0.65 | CA1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1200428-B1 | SUBSTITUTED BENZOXAZOLES | BASF AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| EP-1200428-A1 | SUBSTITUTED BENZOXAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001012625-A2 | SUBSTITUTED BENZOXAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-22 | — | — | WO | disclosed |