⚠ 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 | |
|---|---|---|---|---|
| Pyridine 4-Methanol SCHEMBL102606 | 0.97 | — | — | |
| Pyridine 4-Methanol SCHEMBL28294333 | 0.94 | — | — | |
| Pyridine 4-Methanol SCHEMBL28178737 | 0.94 | — | — | |
| Pyridine 4-Methanol SCHEMBL4445081 | 0.94 | — | — | |
| Pyridine 4-Methanol SCHEMBL10842741 | 0.89 | PRKCI (0.47) | — | |
| Pyridine 4-Methanol SCHEMBL28182518 | 0.89 | CYP1A2 (0.47) | — | |
| Pyridine 4-Methanol SCHEMBL7037225 | 0.87 | TSHR (0.55) | — | |
| SCHEMBL7965577 | 0.87 | LOXL2 (0.52) | — | |
| Pyridine 4-Methanol SCHEMBL9073918 | 0.85 | CYP1A2 (0.46) | — | |
| Biphenyl SCHEMBL27777853 | 0.83 | PRKCI (0.62) | — |
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-2023187012-A1 | COMPOSITIONS INCLUDING AQUEOUS AMINE BORANE COMPLEXES AND POLYNUCLEOTIDES, AND METHODS OF USING THE SAME TO DETECT METHYLCYTOSINE OR HYDROXYMETHYLCYTOSINE | ILLUMINA CAMBRIDGE LIMITED (GB) | 2023-10-05 | — | — | WO | disclosed |