⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9794511 | 0.77 | — | — | |
| SCHEMBL2355555 | 0.77 | — | — | |
| SCHEMBL8461572 | 0.77 | — | — | |
| SCHEMBL7186912 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL543026 | 0.74 | NOS2 (0.31) | — | |
| SCHEMBL2338171 | 0.74 | NOS2 (0.38) | — | |
| SCHEMBL155959 | 0.73 | — | — | |
| SCHEMBL17947 | 0.73 | — | — | |
| SCHEMBL2142077 | 0.72 | — | — | |
| SCHEMBL8041020 | 0.72 | SLC6A3 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2438119-B1 | COMPOSITION HAVING IMPREGNATING EFFECT | WERNER & MERTZ GMBH (DE) | 2014-09-24 | — | — | EP | claimed |
| EP-1893802-B1 | SILOXANE-CONTAINING FORMULATION FOR REDUCING CREASE FORMATION | HENKEL AG & CO KGAA (DE) | 2011-10-05 | — | — | EP | claimed |
| EP-1893802-B1 | SILOXANE-CONTAINING FORMULATION FOR REDUCING CREASE FORMATION | HENKEL AG & CO KGAA (DE) | 2011-10-05 | — | — | EP | disclosed |
| EP-1893802-A1 | SILOXANE-CONTAINING FORMULATION FOR REDUCING CREASE FORMATION | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006136382-A1 | SILOXANE-CONTAINING FORMULATION FOR REDUCING CREASE FORMATION | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-12-28 | — | — | WO | disclosed |