⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4994121 | 1.00 | — | — | |
| SCHEMBL4993391 | 0.84 | — | — | |
| SCHEMBL22941687 | 0.82 | — | — | |
| Thioglycolic Acid SCHEMBL3081773 | 0.80 | EPHX2 (0.40) | — | |
| SCHEMBL3073869 | 0.80 | MAPT (0.39) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6363765 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL20976427 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL1155363 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL3061816 | 0.63 | HPGD (0.38) | — | |
| SCHEMBL4957431 | 0.63 | HPGD (0.38) | — |
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-20220242859-A1 | INHIBITORS OF SARM1 | DISARM THERAPEUTICS, INC. | 2022-08-04 | — | — | US | disclosed |