⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5794876 | 1.00 | — | — | |
| SCHEMBL5794499 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22169229 | 0.97 | — | — | |
| SCHEMBL9792264 | 0.92 | — | — | |
| SCHEMBL9792265 | 0.92 | — | — | |
| SCHEMBL724506 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL9792259 | 0.90 | THRB (0.30) | — | |
| SCHEMBL10614902 | 0.90 | THRB (0.30) | — | |
| SCHEMBL10614895 | 0.90 | THRB (0.30) | — | |
| SCHEMBL9792261 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006024784-A2 | AMINOGLYCOSIDE ANALOGUES, USES THEREOF FOR TREATING MICROBIAL DISEASES AND SYNTHESIS THEREOF | UNIVERSITE RENE DESCARTES-PARIS 5 (FR) | 2006-03-09 | — | — | WO | disclosed |
| US-5516943-A | Process for preparing cyclic CIS-1-amino-2-alkanols | SEPRACOR, INC. (US) | 1996-05-14 | — | — | US | disclosed |