⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28861162 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL22055900 | 0.75 | — | — | |
| SCHEMBL891414 | 0.72 | — | — | |
| SCHEMBL12493019 | 0.70 | — | — | |
| SCHEMBL12493929 | 0.70 | — | — | |
| SCHEMBL25422518 | 0.70 | — | — | |
| SCHEMBL5156769 | 0.67 | — | — | |
| SCHEMBL891025 | 0.67 | POLB (0.33) | — | |
| SCHEMBL28090101 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL11052537 | 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 |
|---|---|---|---|---|---|---|---|
| US-20170174689-A1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | VANDERBILT UNIVERSITY | 2017-06-22 | — | — | US | disclosed |