⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2267517 | 0.72 | — | — | |
| SCHEMBL18546640 | 0.71 | — | — | |
| SCHEMBL11868831 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL1276796 | 0.67 | — | — | |
| SCHEMBL14509653 | 0.63 | — | — | |
| SCHEMBL4079651 | 0.63 | TSHR (0.31) | — | |
| SCHEMBL18820468 | 0.62 | — | — | |
| SCHEMBL4166487 | 0.60 | — | — | |
| SCHEMBL18820452 | 0.59 | — | — | |
| SCHEMBL6626567 | 0.57 | — | — |
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-2009027785-A2 | 1, 3-OXAZOLE DERIVATIVES AS CETP INHIBITORS | PFIZER PRODUCTS INC. (US) | 2009-03-05 | — | — | WO | disclosed |