⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8934694 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL8934711 | 0.81 | LMNA (0.30) | — | |
| SCHEMBL8934698 | 0.73 | ATM (0.33) | — | |
| SCHEMBL16625924 | 0.71 | — | — | |
| SCHEMBL2698450 | 0.69 | — | — | |
| SCHEMBL8934750 | 0.66 | ATM (0.36) | — | |
| SCHEMBL30800711 | 0.65 | — | — | |
| SCHEMBL16625926 | 0.64 | — | — | |
| SCHEMBL96706 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL9251622 | 0.63 | — | — |
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-1996030415-A1 | ALKOXY ALLYL (DI)PEROXIDE CHAIN TRANSFER AGENTS | AKZO NOBEL N.V. (NL) | 1996-10-03 | — | — | WO | disclosed |