⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9729054 | 0.88 | RAD52 (0.40) | — | |
| SCHEMBL9728514 | 0.82 | HTR6 (0.36) | — | |
| Hydrochloric Acid SCHEMBL9729647 | 0.81 | CHRM1 (0.44) | — | |
| SCHEMBL9728716 | 0.75 | CHRM2 (0.41) | — | |
| SCHEMBL9451944 | 0.73 | — | — | |
| SCHEMBL9728112 | 0.69 | RAD52 (0.43) | — | |
| SCHEMBL9833971 | 0.69 | — | — | |
| SCHEMBL9833493 | 0.69 | — | — | |
| SCHEMBL10696710 | 0.69 | CHRM2 (0.45) | — | |
| SCHEMBL9728399 | 0.68 | CHRM1 (0.35) | — |
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-5128340-A | Thiazole derivatives | AKZO N.V. (NL) | 1992-07-07 | — | — | US | disclosed |
| EP-0368384-A1 | Thiazole derivatives | AKZO N.V. (NL) | 1990-05-16 | — | — | EP | disclosed |