⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1095649 | 0.73 | — | — | |
| SCHEMBL2167901 | 0.70 | — | — | |
| SCHEMBL28461863 | 0.70 | LDHA (0.33) | — | |
| SCHEMBL74281 | 0.70 | — | — | |
| Bromide SCHEMBL23909438 | 0.67 | — | — | |
| SCHEMBL6915481 | 0.67 | — | — | |
| SCHEMBL4902220 | 0.67 | — | — | |
| SCHEMBL1861082 | 0.67 | — | — | |
| SCHEMBL13044845 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL892171 | 0.67 | — | — |
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-2011141395-A1 | METHOD FOR PRODUCING REBONDED FOAMS | BASF SE (DE) | 2011-11-17 | — | — | WO | disclosed |