⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29069545 | 0.70 | — | — | |
| SCHEMBL28032871 | 0.68 | TDP1 (0.55) | — | |
| SCHEMBL23670835 | 0.67 | SMYD2 (0.39) | — | |
| SCHEMBL21873603 | 0.67 | TMEM97 (0.46) | — | |
| SCHEMBL4749665 | 0.66 | — | — | |
| SCHEMBL18170156 | 0.66 | TSHR (0.34) | — | |
| SCHEMBL675683 | 0.64 | LTA4H (0.37) | — | |
| SCHEMBL31229726 | 0.64 | CA2 (0.41) | — | |
| SCHEMBL23832957 | 0.63 | RIPK1 (0.30) | — | |
| SCHEMBL10518514 | 0.62 | KDM1A (0.31) | — |
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-2017147410-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2017-08-31 | — | — | WO | disclosed |