⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2847564 | 0.82 | PGD (0.32) | — | |
| SCHEMBL14993926 | 0.79 | TDP1 (0.30) | — | |
| SCHEMBL14993927 | 0.79 | TDP1 (0.30) | — | |
| SCHEMBL4808921 | 0.75 | — | — | |
| SCHEMBL1155333 | 0.75 | — | — | |
| SCHEMBL4180699 | 0.74 | PGD (0.33) | — | |
| SCHEMBL4455207 | 0.74 | PGD (0.33) | — | |
| SCHEMBL4180706 | 0.74 | PGD (0.33) | — | |
| SCHEMBL1155343 | 0.74 | PGD (0.30) | — | |
| SCHEMBL3981121 | 0.73 | CTSS (0.31) | — |
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-2009054693-A2 | PROCESS FOR THE PREPARATION OF ATORVASTATIN | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2009-04-30 | — | — | WO | disclosed |