⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17918957 | 1.00 | — | — | |
| SCHEMBL24136057 | 1.00 | — | — | |
| SCHEMBL3362378 | 1.00 | — | — | |
| SCHEMBL23020860 | 1.00 | — | — | |
| SCHEMBL24026302 | 0.95 | TSHR (0.42) | — | |
| SCHEMBL21971977 | 0.95 | TSHR (0.42) | — | |
| Bicarbonate SCHEMBL3361849 | 0.88 | SLC1A2 (0.45) | — | |
| SCHEMBL21484412 | 0.83 | OPRM1 (0.52) | — | |
| SCHEMBL3362190 | 0.83 | OPRM1 (0.52) | — | |
| SCHEMBL11444911 | 0.82 | TSHR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022076620-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| US-10278626-B2 | Apparatus and method for creating a stable optical interface | MASIMO CORPORATION (US) | 2019-05-07 | — | — | US | disclosed |