⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19805979 | 0.70 | ALDH1A1 (0.50) | — | |
| SCHEMBL22912236 | 0.69 | SLC6A4 (0.35) | — | |
| SCHEMBL22912301 | 0.69 | — | — | |
| SCHEMBL22912199 | 0.68 | ALDH1A1 (0.49) | — | |
| SCHEMBL19805909 | 0.58 | ALDH1A1 (0.56) | — | |
| SCHEMBL22912292 | 0.57 | SLC6A4 (0.37) | — | |
| SCHEMBL14337178 | 0.56 | — | — | |
| SCHEMBL19806126 | 0.55 | CYP3A4 (0.53) | — | |
| SCHEMBL8415458 | 0.54 | TSHR (0.48) | — | |
| Hydrochloric Acid SCHEMBL9147171 | 0.53 | TSHR (0.47) | — |
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-2018014802-A1 | APOPTOSIS INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-01-25 | — | — | WO | disclosed |