⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21121192 | 0.75 | — | — | |
| SCHEMBL2267145 | 0.72 | — | — | |
| SCHEMBL37624 | 0.72 | — | — | |
| SCHEMBL21473 | 0.72 | — | — | |
| SCHEMBL10272316 | 0.71 | — | — | |
| SCHEMBL10223496 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL21693765 | 0.70 | — | — | |
| SCHEMBL10820878 | 0.70 | — | — | |
| SCHEMBL6442975 | 0.70 | — | — | |
| SCHEMBL21121191 | 0.67 | DDB1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019135600-A1 | NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME | 기초과학연구원 | 2019-07-11 | — | — | WO | disclosed |