⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5624764 | 0.74 | — | — | |
| SCHEMBL16381970 | 0.73 | — | — | |
| SCHEMBL15796765 | 0.72 | — | — | |
| SCHEMBL2161089 | 0.71 | PTGS2 (0.33) | — | |
| SCHEMBL30632957 | 0.70 | MMP9 (0.31) | — | |
| Hydrochloric Acid SCHEMBL29604330 | 0.69 | POLB (0.33) | — | |
| SCHEMBL2645752 | 0.69 | — | — | |
| SCHEMBL31234346 | 0.69 | — | — | |
| SCHEMBL1647675 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL17239439 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3820532-A2 | DIMERIC IMMUNO-MODULATORY COMPOUNDS AGAINST CEREBLON-BASED MECHANISMS | H. Lee Moffitt Cancer Center & Research Institute, Inc. (US) | 2021-05-19 | — | — | EP | disclosed |