⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16003295 | 1.00 | — | — | |
| SCHEMBL15003288 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL14823512 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL17640533 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL14864451 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL14823505 | 0.81 | — | — | |
| SCHEMBL15800870 | 0.81 | — | — | |
| SCHEMBL17928873 | 0.80 | — | — | |
| SCHEMBL18891643 | 0.78 | — | — | |
| SCHEMBL15453172 | 0.78 | — | — |
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-9375685-B2 | Membrane for the separation of a mixture of a polar fluid and a non-polar fluid and methods for use thereof | L'Air Liquide Société Anonyme Pour L'Étude Et L'Exploitation Des Procedes Georges Claude (FR) | 2016-06-28 | — | — | US | disclosed |