⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2404033 | 0.74 | TAAR1 (0.39) | — | |
| SCHEMBL338865 | 0.73 | SLC6A3 (0.33) | — | |
| SCHEMBL9308520 | 0.72 | TP53 (0.31) | — | |
| SCHEMBL7058250 | 0.70 | — | — | |
| SCHEMBL10936708 | 0.68 | CYP2D6 (0.32) | — | |
| Benzylamine SCHEMBL16684744 | 0.68 | LOXL2 (0.40) | — | |
| SCHEMBL17048840 | 0.67 | TAAR1 (0.40) | — | |
| SCHEMBL2239337 | 0.65 | LMNA (0.34) | — | |
| SCHEMBL2853648 | 0.64 | — | — | |
| SCHEMBL17065846 | 0.64 | HRH3 (0.39) | — |
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-0863185-B1 | Flame retardant additive based on polysiloxane for aromatic polymers | GEN ELECTRIC (US) | 2003-05-14 | — | — | EP | claimed |