⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30861 | 0.80 | — | — | |
| Pyrimidine SCHEMBL9905714 | 0.70 | — | — | |
| Pyrimidine SCHEMBL27883275 | 0.70 | TDP1 (0.30) | — | |
| Pyrimidine SCHEMBL27866174 | 0.70 | TSHR (0.30) | — | |
| Catechol SCHEMBL7655560 | 0.70 | MAPT (0.42) | — | |
| SCHEMBL10343075 | 0.69 | — | — | |
| Alcohol SCHEMBL5250738 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL6689956 | 0.69 | ALDH1A1 (0.33) | — | |
| Pyrimidine SCHEMBL9216454 | 0.68 | TSHR (0.35) | — | |
| Pyrimidine SCHEMBL10587452 | 0.67 | TSHR (0.46) | — |
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-5767256-A | REACTING HYDROXYL GROUP-CONTAINING ACCEPTOR WITH DONOR SELECTED FROM O-PYRANOSYL AND O-FURANOSYL GLYCOSIDES HAVING PYRIDINE-CONTAINING LEAVING GROUPS | HANESSIAN STEPHEN (CA) | 1998-06-16 | — | — | US | disclosed |