⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10533246 | 0.70 | — | — | |
| SCHEMBL3096127 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL6129065 | 0.65 | HAO1 (0.37) | — | |
| SCHEMBL6276051 | 0.63 | CA2 (0.33) | — | |
| SCHEMBL7944943 | 0.63 | POLB (0.39) | — | |
| SCHEMBL350137 | 0.60 | — | — | |
| SCHEMBL1654819 | 0.60 | — | — | |
| SCHEMBL1064651 | 0.60 | — | — | |
| SCHEMBL380104 | 0.60 | — | — | |
| SCHEMBL1650923 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0960136-B1 | THE USE OF MODIFIED CARBON BLACK IN GAS-PHASE POLYMERIZATIONS | CABOT CORP (US) | 2003-04-16 | — | — | EP | disclosed |