⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27521887 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27806461 | 0.98 | CHRNA3 (0.40) | — | |
| SCHEMBL23418534 | 0.94 | LTA4H (0.41) | — | |
| SCHEMBL21267964 | 0.94 | LTA4H (0.41) | — | |
| SCHEMBL28254273 | 0.92 | CYP2D6 (0.43) | — | |
| Hydrochloric Acid SCHEMBL28272703 | 0.92 | LTA4H (0.41) | — | |
| SCHEMBL28011980 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL28577065 | 0.83 | — | — | |
| Acrylic Acid SCHEMBL28267416 | 0.82 | MEN1 (0.44) | — | |
| SCHEMBL27750679 | 0.80 | KMT2A (0.33) | — |
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-8178666-B2 | 2-aminobenzoxazole process | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-05-15 | — | — | US | disclosed |