⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6436475 | 0.75 | TSHR (0.43) | — | |
| SCHEMBL18401129 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL11221165 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL17467969 | 0.71 | DPP4 (0.33) | — | |
| SCHEMBL1787530 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL17464878 | 0.70 | — | — | |
| SCHEMBL17464923 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL284437 | 0.67 | — | — | |
| SCHEMBL1782505 | 0.67 | — | — | |
| Alcohol SCHEMBL22806740 | 0.67 | AKR1B1 (0.35) | — |
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-2003072814-A2 | IMPROVED METHOD FOR ALLELE-SPECIFIC PCR | ROCHE DIAGNOSTICS GMBH (DE) | 2003-09-04 | — | — | WO | disclosed |