⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17776323 | 0.87 | MGLL (0.33) | — | |
| SCHEMBL31036808 | 0.87 | MGLL (0.33) | — | |
| SCHEMBL26477235 | 0.84 | MGLL (0.36) | — | |
| SCHEMBL8400082 | 0.80 | BRD4 (0.33) | — | |
| SCHEMBL19658174 | 0.79 | MGLL (0.31) | — | |
| SCHEMBL18751694 | 0.79 | MGLL (0.31) | — | |
| SCHEMBL17776136 | 0.79 | MGLL (0.33) | — | |
| SCHEMBL18751703 | 0.79 | MGLL (0.33) | — | |
| SCHEMBL855021 | 0.79 | MGLL (0.33) | — | |
| SCHEMBL17776064 | 0.79 | MGLL (0.33) | — |
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-20120094313-A1 | Nonseparation Assay Methods | BECKMAN COULTER, INC. (US) | 2012-04-19 | — | — | US | disclosed |
| US-7923214-B2 | Nonseparation assay methods | BECKMAN COULTER, INC. (US) | 2011-04-12 | — | — | US | disclosed |
| US-20110009293-A1 | Nonseparation Assay Methods | BECKMAN COULTER, INC. (US) | 2011-01-13 | — | — | US | disclosed |