⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6065090 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL6066213 | 0.75 | TDP1 (0.36) | — | |
| SCHEMBL6427254 | 0.73 | LPAR1 (0.33) | — | |
| SCHEMBL6065280 | 0.72 | — | — | |
| SCHEMBL3107481 | 0.72 | — | — | |
| SCHEMBL3121390 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL14223672 | 0.68 | CYP1A2 (0.36) | — | |
| SCHEMBL5492776 | 0.67 | ITGA4 (0.36) | — | |
| SCHEMBL5495034 | 0.65 | CA1 (0.40) | — | |
| SCHEMBL6426990 | 0.64 | FLT1 (0.30) | — |
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-1663245-A1 | CEPHEM COMPOUNDS | Astellas Pharma Inc. (JP) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005027909-A1 | CEPHEM COMPOUNDS | ASTELLAS PHARMA INC. (JP) | 2005-03-31 | — | — | WO | disclosed |