⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL745905 | 0.77 | — | — | |
| SCHEMBL20901 | 0.74 | — | — | |
| SCHEMBL6038296 | 0.73 | — | — | |
| SCHEMBL3142725 | 0.72 | CYP3A4 (0.38) | — | |
| SCHEMBL22290994 | 0.72 | ITGB2 (0.36) | — | |
| SCHEMBL4919044 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL559813 | 0.70 | — | — | |
| SCHEMBL70257 | 0.70 | — | — | |
| SCHEMBL1413199 | 0.68 | — | — | |
| SCHEMBL3241439 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090048224-A1 | COMPOUNDS AND METHODS OF USE | AMGEN, INC. (US) | 2009-02-19 | — | — | US | claimed |
| US-20090054460-A1 | Piperazine derivatives and methods of use | CHEN JIAN J | 2009-02-26 | — | — | US | disclosed |
| US-20090048224-A1 | COMPOUNDS AND METHODS OF USE | AMGEN, INC. (US) | 2009-02-19 | — | — | US | disclosed |