⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23197822 | 0.90 | — | — | |
| SCHEMBL29023653 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL8854856 | 0.79 | OPRM1 (0.42) | — | |
| SCHEMBL10393433 | 0.75 | — | — | |
| SCHEMBL8008495 | 0.74 | — | — | |
| SCHEMBL12475563 | 0.73 | — | — | |
| SCHEMBL19313501 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL516702 | 0.72 | — | — | |
| SCHEMBL23924957 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL23924958 | 0.71 | TSHR (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3057949-B1 | SECONDARY ALCOHOL QUINOLINYL MODULATORS OF ROR GAMMA T | JANSSEN PHARMACEUTICA NV (BE) | 2019-06-05 | — | — | EP | disclosed |
| US-20120035164-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC | 2012-02-09 | — | — | US | disclosed |