⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6462670 | 0.83 | — | — | |
| SCHEMBL28532347 | 0.82 | TSHR (0.50) | — | |
| SCHEMBL30155026 | 0.78 | — | — | |
| SCHEMBL6466730 | 0.77 | MME (0.38) | — | |
| SCHEMBL3714954 | 0.77 | — | — | |
| SCHEMBL364463 | 0.77 | — | — | |
| SCHEMBL6448801 | 0.77 | — | — | |
| SCHEMBL10777996 | 0.76 | — | — | |
| SCHEMBL27384907 | 0.75 | SLC22A6 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7730368 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4267317-A | CONCURRENT ETHERIFICATION AND DEHYDROGENATION OF A PHENOL BY REACTING WITH A 1-CARBOXY-3-HALOALKANE USING AN ALKALI METAL COMPOUND AND A SPECIAL SOLVENT | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1981-05-12 | — | — | US | disclosed |