⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13850386 | 0.81 | PARP1 (0.32) | — | |
| SCHEMBL6108591 | 0.81 | PARP1 (0.32) | — | |
| SCHEMBL17167092 | 0.79 | — | — | |
| SCHEMBL15329739 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL14234019 | 0.76 | L3MBTL1 (0.35) | — | |
| SCHEMBL8350061 | 0.75 | CHRM3 (0.32) | — | |
| SCHEMBL14310363 | 0.75 | CHRM3 (0.32) | — | |
| SCHEMBL27927683 | 0.74 | SHBG (0.30) | — | |
| SCHEMBL2558785 | 0.74 | DPP4 (0.32) | — | |
| SCHEMBL15330465 | 0.73 | SIGMAR1 (0.33) | — |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |