⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27674939 | 0.74 | — | — | |
| SCHEMBL7498687 | 0.72 | — | — | |
| SCHEMBL1128536 | 0.71 | — | — | |
| SCHEMBL27591372 | 0.69 | — | — | |
| SCHEMBL11968738 | 0.69 | — | — | |
| SCHEMBL3750985 | 0.67 | — | — | |
| SCHEMBL2551074 | 0.67 | — | — | |
| SCHEMBL2555141 | 0.67 | — | — | |
| SCHEMBL1148828 | 0.65 | — | — | |
| SCHEMBL7676289 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0958291-A1 | 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998031681-A1 | 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-23 | — | — | WO | disclosed |