⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21779886 | 0.82 | HRH3 (0.36) | — | |
| SCHEMBL25784032 | 0.82 | DPP4 (0.33) | — | |
| SCHEMBL21451646 | 0.81 | — | — | |
| SCHEMBL18484243 | 0.81 | — | — | |
| SCHEMBL22450557 | 0.79 | DRD2 (0.42) | — | |
| SCHEMBL22450559 | 0.79 | DRD2 (0.42) | — | |
| SCHEMBL18557446 | 0.76 | HRH3 (0.41) | — | |
| SCHEMBL24791352 | 0.75 | GLB1 (0.31) | — | |
| SCHEMBL20257992 | 0.75 | SHBG (0.32) | — | |
| SCHEMBL22909005 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9988391-B2 | TBK/IKK inhibitor compounds and uses thereof | MERCK PATENT GMBH (DE) | 2018-06-05 | — | — | US | disclosed |