⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27450575 | 0.68 | — | — | |
| SCHEMBL17232097 | 0.68 | ALB (0.32) | — | |
| SCHEMBL16436141 | 0.68 | ALB (0.32) | — | |
| SCHEMBL15369632 | 0.68 | ALB (0.46) | — | |
| SCHEMBL15617563 | 0.66 | PDE4D (0.35) | — | |
| SCHEMBL10150524 | 0.63 | STING1 (0.34) | — | |
| SCHEMBL27355779 | 0.62 | — | — | |
| SCHEMBL16000608 | 0.62 | — | — | |
| SCHEMBL18712480 | 0.61 | — | — | |
| SCHEMBL17464316 | 0.61 | — | — |
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-20100331397-A1 | 2-5A ANALOGS AND THEIR METHODS OF USE | ALIOS BIOPHARMA, INC. (US) | 2010-12-30 | — | — | US | disclosed |