⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27268 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31693591 | 0.98 | GOT1 (0.34) | — | |
| SCHEMBL807732 | 0.81 | — | — | |
| SCHEMBL3293242 | 0.81 | — | — | |
| SCHEMBL23119168 | 0.79 | GOT1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL31617543 | 0.79 | GOT1 (0.37) | — | |
| SCHEMBL22023659 | 0.79 | GOT1 (0.37) | — | |
| SCHEMBL19413114 | 0.79 | GOT1 (0.37) | — | |
| SCHEMBL6241867 | 0.77 | — | — | |
| SCHEMBL21166276 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118159530-A | Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling | 康福治疗有限公司 | 2024-06-07 | — | — | CN | disclosed |