⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15323355 | 0.92 | — | — | |
| SCHEMBL22072994 | 0.88 | KDM4E (0.35) | — | |
| SCHEMBL22073002 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL22073010 | 0.86 | KDM4E (0.37) | — | |
| SCHEMBL2974735 | 0.82 | KMT2A (0.33) | — | |
| SCHEMBL2968855 | 0.76 | L3MBTL3 (0.41) | — | |
| SCHEMBL19313016 | 0.76 | KDM4E (0.39) | — | |
| SCHEMBL27676503 | 0.73 | POLB (0.32) | — | |
| SCHEMBL19312856 | 0.72 | L3MBTL3 (0.46) | — | |
| SCHEMBL19121643 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5688805-A | INHIBITORS OF TUMOR NECROSIS FACTOR-A, TREATMENT OF SEPTIC SHOCK, ANTIINFLAMMATORY, ANTIALLERGEN | SCHERING CORPORATION (US) | 1997-11-18 | — | — | US | disclosed |