⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8537 | 0.64 | — | — | |
| SCHEMBL6127936 | 0.63 | ADORA2A (0.31) | — | |
| SCHEMBL14994538 | 0.61 | — | — | |
| SCHEMBL12824701 | 0.61 | — | — | |
| SCHEMBL325221 | 0.60 | — | — | |
| SCHEMBL14845734 | 0.60 | — | — | |
| SCHEMBL10100077 | 0.58 | — | — | |
| SCHEMBL8239476 | 0.57 | TSHR (0.39) | — | |
| SCHEMBL18160869 | 0.57 | — | — | |
| SCHEMBL20083883 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120122840-A1 | COMPOUNDS AND THERAPEUTIC USES THEREOF | MYREXIS, INC. (US) | 2012-05-17 | — | — | US | disclosed |