⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18695801 | 0.69 | — | — | |
| SCHEMBL29797161 | 0.63 | TSHR (0.36) | — | |
| SCHEMBL29390893 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL2986880 | 0.60 | USP2 (0.36) | — | |
| SCHEMBL5093389 | 0.58 | EPHX2 (0.35) | — | |
| SCHEMBL13206360 | 0.57 | USP2 (0.40) | — | |
| SCHEMBL28811055 | 0.57 | CCR2 (0.31) | — | |
| SCHEMBL9385691 | 0.56 | USP2 (0.31) | — | |
| SCHEMBL9385686 | 0.56 | USP2 (0.31) | — | |
| SCHEMBL8424766 | 0.55 | USP2 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1287053-A1 | URETHANE BASED ON ORGANOLEPTICALLY ACTIVE AROMATIC ALCOHOLS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-03-05 | — | — | EP | claimed |
| WO-2001094438-A1 | URETHANE BASED ON ORGANOLEPTICALLY ACTIVE AROMATIC ALCOHOLS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-12-13 | — | — | WO | claimed |