⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2128157 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2125094 | 0.96 | — | — | |
| SCHEMBL9912214 | 0.96 | — | — | |
| SCHEMBL13563188 | 0.96 | — | — | |
| SCHEMBL424166 | 0.96 | — | — | |
| SCHEMBL19656178 | 0.92 | EPHX2 (0.31) | — | |
| SCHEMBL22991966 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4925856 | 0.92 | — | — | |
| SCHEMBL4436247 | 0.92 | — | — | |
| SCHEMBL16522566 | 0.92 | — | — |
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-10800805-B2 | Protected fluorescent reagent compounds | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2020-10-13 | — | — | US | disclosed |
| WO-2019046126-A1 | AMINOGLYCOSIDES AND USES THEREOF | ACHAOGEN, INC. (US) | 2019-03-07 | — | — | WO | disclosed |