⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5167647 | 0.76 | — | — | |
| SCHEMBL55369 | 0.76 | — | — | |
| SCHEMBL28306753 | 0.72 | — | — | |
| SCHEMBL56364 | 0.71 | — | — | |
| SCHEMBL5166944 | 0.71 | — | — | |
| SCHEMBL303163 | 0.69 | HMGCR (0.37) | — | |
| SCHEMBL55883 | 0.69 | PTPN7 (0.52) | — | |
| SCHEMBL31230818 | 0.69 | TSHR (0.45) | — | |
| SCHEMBL919751 | 0.69 | — | — | |
| SCHEMBL9943966 | 0.67 | PTPN7 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5563263-A | EPOXIDATION CATALYSTS | HOECHST CELANESE CORPORATION (US) | 1996-10-08 | — | — | US | disclosed |
| WO-1996008311-A1 | D4-SYMMETRIC PORPHYRIN-BASED CATALYSTS, PROCESSES FOR PREPARING SAME, AND PROCESSES FOR USING SAME | HOECHST CELANESE CORPORATION (US) | 1996-03-21 | — | — | WO | disclosed |