⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28529008 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2256353 | 0.97 | PNMT (0.60) | — | |
| Bromide SCHEMBL1301625 | 0.97 | PNMT (0.60) | — | |
| Iodide SCHEMBL2216307 | 0.97 | PNMT (0.60) | — | |
| SCHEMBL8729312 | 0.82 | — | — | |
| SCHEMBL3300276 | 0.81 | PNMT (0.65) | — | |
| SCHEMBL12050856 | 0.81 | TAAR1 (0.74) | — | |
| SCHEMBL195102 | 0.79 | — | — | |
| SCHEMBL30181552 | 0.79 | — | — | |
| Bromide SCHEMBL3216350 | 0.78 | TAAR1 (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3941908-A1 | COMPOUNDS AND USES THEREOF | Yumanity Therapeutics, Inc. (US) | 2022-01-26 | — | — | EP | disclosed |