⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16110093 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL11070173 | 0.76 | — | — | |
| SCHEMBL1439819 | 0.73 | — | — | |
| SCHEMBL2350698 | 0.70 | — | — | |
| Tetrafluoroethylene SCHEMBL3316061 | 0.70 | CA5A (0.60) | — | |
| SCHEMBL9973374 | 0.70 | — | — | |
| SCHEMBL1938 | 0.67 | — | — | |
| SCHEMBL29818845 | 0.67 | TSHR (1.00) | — | |
| Sulfuric Acid SCHEMBL15462484 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL8532128 | 0.65 | CA5A (1.00) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4080391-A | Process for the production of alcohols | MITSUI TOATSU CHEMICALS (JA) | 1978-03-21 | — | — | US | claimed |
| US-7973109-B2 | Crosslinked type layered metal phosphonate compound, production process therefor, non-crosslinked type layered metal phosphonate compound, production process therefor, as well as stock solution | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 2011-07-05 | — | — | US | disclosed |
| US-20090093607-A1 | Crosslinked type layered metal phosphonate compound, production process therefor, non-crosslinked type layered metal phosphonate compound, production process therefor, as well as stock solution | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 2009-04-09 | — | — | US | disclosed |
| US-4080391-A | Process for the production of alcohols | MITSUI TOATSU CHEMICALS (JA) | 1978-03-21 | — | — | US | disclosed |
| US-4080391-A | Process for the production of alcohols | MITSUI TOATSU CHEMICALS (JA) | 1978-03-21 | — | — | US | disclosed |