⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18235812 | 0.89 | USP2 (0.32) | — | |
| SCHEMBL18229734 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL20150678 | 0.73 | — | — | |
| SCHEMBL18235809 | 0.72 | KMT2A (0.38) | — | |
| SCHEMBL18235803 | 0.67 | — | — | |
| SCHEMBL14672389 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL20150672 | 0.66 | — | — | |
| SCHEMBL1412782 | 0.65 | NAAA (0.42) | — | |
| SCHEMBL9774204 | 0.65 | NAAA (0.48) | — | |
| SCHEMBL875433 | 0.65 | NAAA (0.48) | — |
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-2016182850-A1 | METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2016-11-17 | — | — | WO | disclosed |