⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1902482 | 0.84 | — | — | |
| SCHEMBL11546745 | 0.82 | CHRM2 (0.41) | — | |
| SCHEMBL1834656 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL3371973 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL16047312 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL11569907 | 0.71 | — | — | |
| SCHEMBL14808854 | 0.71 | — | — | |
| SCHEMBL7153238 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL12234487 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL18691824 | 0.69 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2114917-A2 | PYRROLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008108380-A2 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-12 | — | — | WO | disclosed |
| CN-1221405-A | Substituted amidinobenzene derivatives and medicinal compositions thereof | YAMANOUCHI PHARMA CO LTD (JP) | 1999-06-30 | — | — | CN | disclosed |
| EP-0822931-A1 | PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION | Takeda Chemical Industries, Ltd. (JP) | 1998-02-11 | — | — | EP | disclosed |
| WO-1996033982-A1 | PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-31 | — | — | WO | disclosed |