⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453248 | 0.74 | PKM (0.39) | — | |
| SCHEMBL1187857 | 0.74 | — | — | |
| SCHEMBL3824372 | 0.70 | — | — | |
| SCHEMBL18923946 | 0.69 | — | — | |
| SCHEMBL28098099 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL28098101 | 0.69 | TSHR (0.38) | — | |
| Acetic Acid SCHEMBL10355645 | 0.69 | PKM (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL28219536 | 0.69 | GGT1 (0.31) | — | |
| SCHEMBL11518474 | 0.67 | — | — | |
| SCHEMBL7202469 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1758932-A2 | METASTIN DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-03-07 | — | — | EP | claimed |
| WO-2006001499-A2 | METASTIN DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-01-05 | — | — | WO | claimed |
| EP-2379053-A1 | PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER | Takeda Pharmaceutical Company Limited (JP) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010076896-A1 | PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-08 | — | — | WO | disclosed |
| EP-1963362-A1 | METASTIN DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007072997-A1 | METASTIN DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-06-28 | — | — | WO | disclosed |