⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19544698 | 0.86 | SLC6A1 (0.43) | — | |
| SCHEMBL19544696 | 0.84 | GABRA1 (0.35) | — | |
| SCHEMBL31459967 | 0.84 | SLC6A1 (0.38) | — | |
| SCHEMBL30707531 | 0.82 | SLC6A1 (0.36) | — | |
| SCHEMBL31434249 | 0.78 | — | — | |
| SCHEMBL6180576 | 0.75 | — | — | |
| SCHEMBL31459886 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL6677874 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL21193195 | 0.67 | — | — | |
| SCHEMBL575782 | 0.64 | — | — |
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-2017186148-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS | ASTAR BIOTECH LLC (US) | 2017-11-02 | — | — | WO | disclosed |