⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21306564 | 0.85 | DPP4 (0.32) | — | |
| SCHEMBL19578755 | 0.85 | DPP4 (0.32) | — | |
| SCHEMBL818700 | 0.80 | DPP4 (0.34) | — | |
| SCHEMBL2756076 | 0.80 | DPP4 (0.34) | — | |
| SCHEMBL2757138 | 0.70 | — | — | |
| SCHEMBL23773240 | 0.69 | CYP2C9 (0.38) | — | |
| SCHEMBL22080094 | 0.69 | DPP4 (0.33) | — | |
| SCHEMBL21115556 | 0.69 | CYP2C9 (0.38) | — | |
| SCHEMBL356705 | 0.69 | CYP2C9 (0.38) | — | |
| SCHEMBL21556949 | 0.69 | — | — |
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-3197868-B1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | CADENT THERAPEUTICS INC (US) | 2020-04-15 | — | — | EP | disclosed |