⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29558043 | 0.67 | — | — | |
| SCHEMBL6401587 | 0.67 | TDP1 (0.32) | — | |
| SCHEMBL746498 | 0.67 | — | — | |
| SCHEMBL18576652 | 0.62 | — | — | |
| SCHEMBL5849008 | 0.62 | ALDH1A1 (0.46) | — | |
| SCHEMBL20067788 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL25301859 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL8195011 | 0.57 | LMNA (0.36) | — | |
| SCHEMBL8895576 | 0.56 | — | — | |
| SCHEMBL8297652 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009143389-A1 | PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS | ARIAD PHARMACEUTICALS, INC. (US) | 2009-11-26 | — | — | WO | disclosed |