⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL272723 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL9753776 | 0.76 | — | — | |
| SCHEMBL17471393 | 0.74 | — | — | |
| SCHEMBL14764616 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL272528 | 0.69 | — | — | |
| SCHEMBL27261792 | 0.68 | — | — | |
| SCHEMBL9160221 | 0.67 | NR1I2 (0.33) | — | |
| SCHEMBL17133772 | 0.67 | — | — | |
| SCHEMBL15159132 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL4946247 | 0.65 | — | — |
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-1991009046-A1 | MORPHOLINYL DERIVATIVES OF DOXORUBICIN AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.R.L. (IT) | 1991-06-27 | — | — | WO | disclosed |