⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL109113 | 0.88 | TSHR (0.36) | — | |
| Methyl Alcohol SCHEMBL28412781 | 0.84 | MEN1 (0.34) | — | |
| Thiocyanic Acid SCHEMBL30560155 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL2834281 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL31300095 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL31300096 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL31300094 | 0.78 | TSHR (0.32) | — | |
| Thiocyanic Acid SCHEMBL29045267 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL166002 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL574682 | 0.74 | TSHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102194764-B | Semiconductor device, substrates for semiconductor elements and their manufacture method | 富士胶片株式会社 | 2016-07-06 | — | — | CN | disclosed |