⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1387717 | 0.78 | — | — | |
| SCHEMBL2224960 | 0.73 | — | — | |
| SCHEMBL2223619 | 0.73 | — | — | |
| SCHEMBL1303243 | 0.72 | — | — | |
| SCHEMBL1302842 | 0.72 | — | — | |
| SCHEMBL12491575 | 0.71 | CYP2D6 (0.40) | — | |
| SCHEMBL8332195 | 0.70 | EPHX2 (0.30) | — | |
| SCHEMBL5231305 | 0.67 | — | — | |
| SCHEMBL917888 | 0.67 | — | — | |
| SCHEMBL1917510 | 0.66 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120305840-A1 | CARBON DIOXIDE ABSORBING SOLUTION | KABUSHIKI KAISHA TOSHIBA (JP) | 2012-12-06 | — | — | US | disclosed |
| EP-2481465-A1 | CARBON DIOXIDE ABSORBENT SOLUTION | Kabushiki Kaisha Toshiba (JP) | 2012-08-01 | — | — | EP | disclosed |
| US-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
| US-4337103-A | FUNCTIONALLY TERMINATED RUBBER | HERCULES INCORPORATED (US) | 1982-06-29 | — | — | US | disclosed |
| US-4323568-A | INHIBIT PLATELET AGGREGATION | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1982-04-06 | — | — | US | disclosed |
| EP-0001759-B1 | (OMEGA-AMINOALKOXY) BIBENZYLS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE SUBSTANCES | MITSUBISHI KASEI CORPORATION (JP) | 1981-12-30 | — | — | EP | disclosed |
| EP-0001759-A1 | (Omega-aminoalkoxy) bibenzyls, processes for their preparation and pharmaceutical compositions containing these substances | MITSUBISHI KASEI CORPORATION (JP) | 1979-05-16 | — | — | EP | disclosed |