⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL157071 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL18527055 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL308456 | 0.72 | — | — | |
| SCHEMBL3280368 | 0.72 | — | — | |
| SCHEMBL15841446 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL18431900 | 0.70 | — | — | |
| SCHEMBL27806828 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL17896993 | 0.70 | — | — | |
| SCHEMBL18677617 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL12313621 | 0.68 | TSHR (0.34) | — |
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-10947201-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2021-03-16 | — | — | US | disclosed |