⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1280142 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL28383744 | 0.69 | — | — | |
| SCHEMBL276069 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL430469 | 0.67 | CA2 (0.32) | — | |
| SCHEMBL19411642 | 0.67 | SPHK1 (0.36) | — | |
| SCHEMBL11272031 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL7694844 | 0.66 | TSHR (0.36) | — | |
| SCHEMBL127300 | 0.66 | TSHR (0.38) | — | |
| SCHEMBL4458578 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL1704294 | 0.66 | — | — |
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-20070179072-A1 | Cleaning formulations | VERSUM MATERIALS US, LLC | 2007-08-02 | — | — | US | disclosed |