⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23119189 | 0.84 | — | — | |
| SCHEMBL19703336 | 0.81 | — | — | |
| SCHEMBL15618888 | 0.77 | CHRNB2 (0.39) | — | |
| SCHEMBL96919 | 0.74 | — | — | |
| SCHEMBL1509476 | 0.74 | — | — | |
| SCHEMBL4901739 | 0.74 | — | — | |
| SCHEMBL2126204 | 0.73 | — | — | |
| SCHEMBL371246 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9616743 | 0.72 | POLB (0.43) | — | |
| Hydrochloric Acid SCHEMBL10556422 | 0.72 | POLB (0.43) | — |
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-2020132483-A1 | RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF | REGENERON PHARMACEUTICALS, INC. (US) | 2020-06-25 | — | — | WO | disclosed |
| EP-3333156-A2 | BENZOMORPHAN ANALOGS AND THE USE THEREOF | Purdue Pharma L.P. (US) | 2018-06-13 | — | — | EP | disclosed |