⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3195517 | 0.89 | TSHR (0.34) | — | |
| SCHEMBL4352827 | 0.85 | TSHR (0.34) | — | |
| SCHEMBL10054316 | 0.85 | TSHR (0.34) | — | |
| SCHEMBL19101406 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL1131935 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL20563993 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL16317374 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL20563991 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL24506244 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL12348211 | 0.78 | ALDH1A1 (0.32) | — |
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-7951926-B2 | Method for the synthesis of oligonucleotide derivatives | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2011-05-31 | — | — | US | disclosed |