⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28011352 | 0.62 | PIN1 (0.32) | — | |
| SCHEMBL10505721 | 0.57 | CA2 (0.37) | — | |
| Pyrogallol SCHEMBL23319312 | 0.52 | ALDH1A1 (0.71) | — | |
| Pyrogallol SCHEMBL23319311 | 0.52 | ALDH1A1 (0.71) | — | |
| SCHEMBL10816016 | 0.51 | BCL2L1 (0.42) | — | |
| SCHEMBL11831355 | 0.51 | CHRNB2 (0.42) | — | |
| SCHEMBL17058346 | 0.50 | — | — | |
| SCHEMBL10049337 | 0.50 | — | — | |
| SCHEMBL9302367 | 0.50 | — | — | |
| SCHEMBL2048897 | 0.49 | HTR2A (0.53) | — |
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-2022045825-A1 | METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED COMPOSITION | 주식회사 엘지화학 | 2022-03-03 | — | — | WO | disclosed |