⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17593296 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL14746271 | 0.66 | — | — | |
| SCHEMBL4552436 | 0.57 | — | — | |
| SCHEMBL6455224 | 0.56 | — | — | |
| SCHEMBL5594211 | 0.54 | — | — | |
| SCHEMBL10013071 | 0.54 | — | — | |
| SCHEMBL27209675 | 0.53 | TSHR (0.33) | — | |
| SCHEMBL193861 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL27969702 | 0.52 | — | — | |
| Benzene SCHEMBL28096982 | 0.52 | — | — |
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-2009119086-A1 | METHOD FOR PRODUCING 9-HYDROXYMETHYL-CYCLOHEPTA[B]PYRIDINE-3-CARBOXYLATE ESTER DERIVATIVE | トーアエイヨー株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |