⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL544934 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL631044 | 0.81 | ADRA2C (0.39) | — | |
| SCHEMBL8185561 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL8582236 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL210683 | 0.61 | KDM4E (0.33) | — | |
| SCHEMBL4815627 | 0.60 | LMNA (0.31) | — | |
| SCHEMBL8468520 | 0.58 | MAPT (0.40) | — | |
| SCHEMBL6662381 | 0.58 | L3MBTL1 (0.38) | — | |
| SCHEMBL3252049 | 0.58 | F2 (0.33) | — | |
| SCHEMBL3248703 | 0.58 | F2 (0.44) | — |
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-1993004987-A1 | HYPOCHLORITE DONOR/BROMIDE ION DONOR TABLETS WHICH ARE STABLE IN WATER | OCCIDENTAL CHEMICAL CORPORATION (US) | 1993-03-18 | — | — | WO | disclosed |