⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10962253 | 1.00 | TSHR (0.67) | — | |
| SCHEMBL10961485 | 1.00 | TSHR (0.67) | — | |
| SCHEMBL97813 | 1.00 | TSHR (0.67) | — | |
| SCHEMBL10959938 | 1.00 | TSHR (0.67) | — | |
| SCHEMBL977941 | 1.00 | TSHR (0.67) | — | |
| SCHEMBL688308 | 1.00 | — | — | |
| SCHEMBL5718534 | 1.00 | TSHR (0.67) | — | |
| SCHEMBL4002197 | 1.00 | TSHR (0.67) | — | |
| SCHEMBL688499 | 1.00 | TSHR (0.67) | — | |
| SCHEMBL2369151 | 1.00 | TSHR (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005010269-A1 | METHOD FOR THE APPLICATION OF FRAGRANCES TO TEXTILE MATERIALS AND FRAGRANT SUBSTANCE | DEOTEXIS INC. (US) | 2005-02-03 | — | — | WO | disclosed |