⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20591176 | 0.83 | GPR3 (0.32) | — | |
| SCHEMBL20591174 | 0.73 | MAPT (0.53) | — | |
| SCHEMBL28011561 | 0.69 | GPR3 (0.39) | — | |
| SCHEMBL20591164 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL6466370 | 0.67 | MAPT (0.34) | — | |
| SCHEMBL20591156 | 0.66 | NQO1 (0.41) | — | |
| SCHEMBL20591175 | 0.66 | — | — | |
| SCHEMBL16694084 | 0.64 | — | — | |
| SCHEMBL2970013 | 0.62 | TSHR (0.38) | — | |
| SCHEMBL16694703 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11045796-B2 | Process for producing aromatic compound, and palladium complex | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2021-06-29 | — | — | US | disclosed |
| US-20180369799-A1 | PROCESS FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2018-12-27 | — | — | US | disclosed |