⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13020958 | 1.00 | PIM1 (0.50) | — | |
| SCHEMBL6648437 | 0.86 | PIM1 (0.56) | — | |
| SCHEMBL14577149 | 0.84 | PIM1 (0.43) | — | |
| SCHEMBL3550306 | 0.82 | HTR2A (0.45) | — | |
| SCHEMBL15062267 | 0.80 | PIM1 (0.41) | — | |
| SCHEMBL6865610 | 0.80 | PIM1 (0.45) | — | |
| SCHEMBL6866913 | 0.80 | HTR2A (0.52) | — | |
| SCHEMBL6870217 | 0.80 | MAOA (0.52) | — | |
| SCHEMBL15049868 | 0.78 | PIM1 (0.35) | — | |
| SCHEMBL8647555 | 0.77 | HDAC4 (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 |
|---|---|---|---|---|---|---|---|
| US-6328943-B1 | CONTACTING IRON SULFIDES AND/OR PRECURSORS THEREOF IN THE PRESENCE OF AIR WITH AN EFFECTIVE INHIBITING AMOUNT OF A TREATMENT COMPOUND SELECTED FROM AMINE, ALCOHOL, KETONE, OR MIXTURES | BETZDEARBORN INC. | 2001-12-11 | — | — | US | disclosed |