⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11014223 | 0.82 | — | — | |
| SCHEMBL269108 | 0.77 | — | — | |
| SCHEMBL20812464 | 0.76 | HRH4 (0.39) | — | |
| SCHEMBL6357143 | 0.74 | TSHR (0.48) | — | |
| Iodide SCHEMBL11778186 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL459491 | 0.73 | TSHR (0.45) | — | |
| SCHEMBL3369009 | 0.72 | EPHX1 (0.41) | — | |
| SCHEMBL19582465 | 0.72 | — | — | |
| SCHEMBL339968 | 0.72 | — | — | |
| SCHEMBL10881911 | 0.72 | — | — |
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-10357475-B2 | IRE-1α inhibitors | FOSUN ORINOVE PHARMATECH, INC. (CN) | 2019-07-23 | — | — | US | disclosed |