⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11296457 | 0.71 | ADRA2A (0.40) | — | |
| SCHEMBL9781870 | 0.71 | CES2 (0.54) | — | |
| SCHEMBL2877856 | 0.69 | — | — | |
| SCHEMBL3185774 | 0.68 | ADRA2A (0.54) | — | |
| SCHEMBL54470 | 0.67 | HTR3E (0.50) | — | |
| SCHEMBL826805 | 0.65 | — | — | |
| SCHEMBL7048557 | 0.65 | — | — | |
| SCHEMBL9491971 | 0.64 | — | — | |
| SCHEMBL129448 | 0.64 | — | — | |
| SCHEMBL163160 | 0.64 | HTR3E (0.54) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110118172-A1 | METASTIN DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2277900-A1 | METASTIN DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-01-26 | — | — | EP | disclosed |