⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3427593 | 0.80 | — | — | |
| SCHEMBL7461332 | 0.73 | — | — | |
| SCHEMBL19546235 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL23976189 | 0.65 | — | — | |
| SCHEMBL1119922 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3305285 | 0.61 | — | — | |
| Bromide SCHEMBL5580939 | 0.61 | — | — | |
| SCHEMBL16274880 | 0.58 | — | — | |
| SCHEMBL17664788 | 0.58 | PHGDH (0.36) | — | |
| SCHEMBL1110068 | 0.57 | — | — |
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-2021163629-A1 | INHIBITORS OF ULK1/2 AND METHODS OF USING SAME | SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) | 2021-08-19 | — | — | WO | disclosed |