⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10836590 | 0.78 | HTR2C (0.34) | — | |
| Hydrochloric Acid SCHEMBL2904557 | 0.76 | HTR2C (0.33) | — | |
| SCHEMBL5077969 | 0.75 | — | — | |
| SCHEMBL20841336 | 0.75 | — | — | |
| SCHEMBL24619019 | 0.75 | — | — | |
| SCHEMBL16203355 | 0.72 | CXCR4 (0.36) | — | |
| SCHEMBL17433523 | 0.70 | CRBN (0.39) | — | |
| SCHEMBL2679452 | 0.70 | — | — | |
| SCHEMBL11249994 | 0.67 | — | — | |
| SCHEMBL29332611 | 0.65 | — | — |
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-9366678-B2 | Neutron encoded mass tags for analyte quantification | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2016-06-14 | — | — | US | disclosed |