⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL418046 | 1.00 | — | — | |
| SCHEMBL3551986 | 1.00 | — | — | |
| SCHEMBL183673 | 1.00 | — | — | |
| SCHEMBL3542055 | 1.00 | — | — | |
| SCHEMBL3543735 | 1.00 | — | — | |
| Methane SCHEMBL18695290 | 0.97 | — | — | |
| SCHEMBL5084611 | 0.97 | — | — | |
| SCHEMBL21056142 | 0.97 | — | — | |
| SCHEMBL3951830 | 0.91 | ALDH1A1 (0.44) | — | |
| SCHEMBL1155 | 0.86 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3024898-A1 | ENCAPSULATED CATALYSTS | OMG UK Technology Limited (GB) | 2016-06-01 | — | — | EP | claimed |
| WO-2015011430-A1 | ENCAPSULATED CATALYSTS | OMG UK TECHNOLOGY LIMITED (GB) | 2015-01-29 | — | — | WO | claimed |
| CN-113766914-A | Pentamidine analogs and uses thereof | 美商奥润沙公司 | 2021-12-07 | — | — | CN | disclosed |
| EP-1854792-B1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2012-12-26 | — | — | EP | disclosed |
| US-7820693-B2 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-10-26 | — | — | US | disclosed |
| US-20090030195-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-01-29 | — | — | US | disclosed |
| EP-1854792-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-11-14 | — | — | EP | disclosed |
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | disclosed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |