⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4958645 | 1.00 | — | — | |
| SCHEMBL11318430 | 0.82 | MAPK1 (0.42) | — | |
| SCHEMBL457302 | 0.81 | — | — | |
| SCHEMBL317021 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28855937 | 0.79 | ADH1B (0.38) | — | |
| SCHEMBL28331883 | 0.79 | ADH1B (0.43) | — | |
| SCHEMBL5544546 | 0.79 | ADH1B (0.43) | — | |
| SCHEMBL5542802 | 0.79 | ADH1B (0.43) | — | |
| SCHEMBL72483 | 0.79 | ADH1B (0.43) | — | |
| SCHEMBL30435158 | 0.76 | SLC1A3 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080221003-A1 | CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2008-09-11 | — | — | US | disclosed |
| US-20080207481-A1 | CONSUMER PRODUCTS HAVING VARYING ODORS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2008-08-28 | — | — | US | disclosed |
| US-20080207476-A1 | PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2008-08-28 | — | — | US | disclosed |