⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28819359 | 0.96 | — | — | |
| SCHEMBL3164 | 0.93 | — | — | |
| SCHEMBL9285670 | 0.93 | TSHR (0.92) | — | |
| SCHEMBL276808 | 0.93 | — | — | |
| Hexane SCHEMBL8845002 | 0.93 | TSHR (0.92) | — | |
| Cyanide SCHEMBL27808949 | 0.90 | — | — | |
| Methylene Chloride SCHEMBL25428166 | 0.89 | — | — | |
| SCHEMBL11742005 | 0.89 | TSHR (1.00) | — | |
| SCHEMBL5575823 | 0.89 | TSHR (1.00) | — | |
| SCHEMBL22186971 | 0.89 | TSHR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104334534-A | Improved process for preparing 1-aryl-5-alkylpyrazole compounds | MERIAL LTD | 2015-02-04 | — | — | CN | disclosed |
| CN-1292890-A | A process for making photoactive compound and photoresist therefrom | CLARIANT INT LTD (CH) | 2001-04-25 | — | — | CN | disclosed |