⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6747830 | 0.70 | — | — | |
| SCHEMBL6900313 | 0.69 | — | — | |
| SCHEMBL7994075 | 0.67 | — | — | |
| SCHEMBL10043009 | 0.67 | — | — | |
| SCHEMBL13246038 | 0.67 | — | — | |
| SCHEMBL13669672 | 0.67 | — | — | |
| SCHEMBL14155452 | 0.67 | — | — | |
| SCHEMBL13594664 | 0.67 | — | — | |
| SCHEMBL13632878 | 0.67 | — | — | |
| SCHEMBL24099786 | 0.65 | ALDH1A1 (0.50) | — |
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-20210388002-A1 | DIMETHOXYBENZENE COMPOUND ANALOGS, METHODS FOR ANALYZING SAID COMPOUNDS AND STANDARD PRODUCTS OF SAID COMPOUNDS | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-12-16 | — | — | US | disclosed |
| US-20210387990-A1 | METHOD FOR PRODUCING DIMETHOXYBENZENE COMPOUND | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-12-16 | — | — | US | disclosed |