⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3375280 | 0.71 | — | — | |
| SCHEMBL52731 | 0.64 | — | — | |
| SCHEMBL25549783 | 0.64 | — | — | |
| SCHEMBL24016942 | 0.64 | — | — | |
| SCHEMBL24016943 | 0.64 | — | — | |
| SCHEMBL4109736 | 0.63 | — | — | |
| SCHEMBL4111314 | 0.63 | — | — | |
| SCHEMBL36405 | 0.63 | — | — | |
| Methane SCHEMBL28176178 | 0.60 | — | — | |
| SCHEMBL315495 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804142-A1 | DIKETO COMPOUNDS FOR COLOURING KERATIN-CONTAINING FIBRES | Henkel Kommanditgesellschaft auf Aktien (DE) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996022075-A1 | DIKETO COMPOUNDS FOR COLOURING KERATIN-CONTAINING FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1996-07-25 | — | — | WO | disclosed |
| WO-1996022076-A1 | DIKETO COMPOUNDS FOR COLOURING KERATIN-CONTAINING FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1996-07-25 | — | — | WO | disclosed |
| WO-1996009807-A1 | 2-HYDROXY-1-ETHANONE DERIVATIVES FOR USE IN DYEING KERATIN-CONTAINING FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1996-04-04 | — | — | WO | disclosed |