⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3840002 | 0.87 | EGFR (0.35) | — | |
| Hydrochloric Acid SCHEMBL3853482 | 0.85 | EGFR (0.33) | — | |
| SCHEMBL3852554 | 0.79 | EGFR (0.37) | — | |
| SCHEMBL12861041 | 0.78 | EGFR (0.36) | — | |
| SCHEMBL3836264 | 0.76 | CHRNB2 (0.41) | — | |
| SCHEMBL3835527 | 0.76 | EGFR (0.38) | — | |
| SCHEMBL3520804 | 0.75 | CHRNB2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL9938787 | 0.74 | CHRNB2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL18544052 | 0.74 | EGFR (0.37) | — | |
| Hydrochloric Acid SCHEMBL3853489 | 0.74 | CHRNB2 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7578855-B2 | Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof | L'ORéAL S.A. (FR) | 2009-08-25 | — | — | US | disclosed |
| US-20070136959-A1 | Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof | L'OREAL S.A. (FR) | 2007-06-21 | — | — | US | disclosed |