⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10416684 | 0.73 | GGPS1 (0.40) | — | |
| SCHEMBL4967132 | 0.67 | — | — | |
| SCHEMBL7746889 | 0.67 | — | — | |
| SCHEMBL7745931 | 0.67 | — | — | |
| SCHEMBL12036909 | 0.67 | — | — | |
| SCHEMBL9395113 | 0.64 | GGPS1 (0.43) | — | |
| SCHEMBL1085933 | 0.62 | — | — | |
| SCHEMBL3640460 | 0.56 | — | — | |
| SCHEMBL302965 | 0.56 | — | — | |
| SCHEMBL6445477 | 0.56 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0371721-B1 | Preparation process for aromatic hydroxycarboxylic acid | MITSUI TOATSU CHEMICALS (JP) | 1994-07-27 | — | — | EP | claimed |
| US-4950781-A | REACTING AN ALKALI METAL MALT OF PHENOL WITH CARBON DI OXIDE IN PRESENCE OF PHOSPHINE OXIDE SOLVENT | MITSUI TOATSU CHEMICALS, INC. (JP) | 1990-08-21 | — | — | US | claimed |
| EP-0371721-A2 | Preparation process for aromatic hydroxycarboxylic acid | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-06-06 | — | — | EP | claimed |
| EP-0371721-B1 | Preparation process for aromatic hydroxycarboxylic acid | MITSUI TOATSU CHEMICALS (JP) | 1994-07-27 | — | — | EP | disclosed |
| EP-0478197-A1 | Control process of isomer ratio of aromatic hydroxycarboxylic acid | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-04-01 | — | — | EP | disclosed |
| US-4950781-A | REACTING AN ALKALI METAL MALT OF PHENOL WITH CARBON DI OXIDE IN PRESENCE OF PHOSPHINE OXIDE SOLVENT | MITSUI TOATSU CHEMICALS, INC. (JP) | 1990-08-21 | — | — | US | disclosed |
| EP-0371721-A2 | Preparation process for aromatic hydroxycarboxylic acid | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-06-06 | — | — | EP | disclosed |