⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL451030 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL3108934 | 0.64 | — | — | |
| SCHEMBL1899890 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL9644038 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL11755153 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL1925151 | 0.64 | — | — | |
| SCHEMBL786960 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL49458 | 0.64 | — | — | |
| SCHEMBL1796549 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL10516996 | 0.64 | ALDH1A1 (0.43) | — |
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-0034743-A1 | Benzoxazoles, their preparation and their use as medicines | Dr. Karl Thomae GmbH (DE) | 1981-09-02 | — | — | EP | claimed |
| EP-0034743-A1 | Benzoxazoles, their preparation and their use as medicines | Dr. Karl Thomae GmbH (DE) | 1981-09-02 | — | — | EP | disclosed |