⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6961995 | 0.80 | HCAR2 (0.34) | — | |
| SCHEMBL6236962 | 0.76 | TKT (0.38) | — | |
| Sulfuric Acid SCHEMBL9355323 | 0.70 | TKT (0.34) | — | |
| SCHEMBL6241450 | 0.64 | — | — | |
| SCHEMBL9355615 | 0.58 | ILK (0.32) | — | |
| SCHEMBL723497 | 0.57 | HSD17B10 (0.41) | — | |
| SCHEMBL9024417 | 0.55 | — | — | |
| SCHEMBL7132699 | 0.55 | CDK1 (0.41) | — | |
| SCHEMBL725089 | 0.55 | HSD17B10 (0.39) | — | |
| SCHEMBL17914307 | 0.55 | HSD17B10 (0.39) | — |
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-1244421-A1 | NOVEL COLORANT COMBINATION | Henkel Kommanditgesellschaft auf Aktien (DE) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047484-A1 | NOVEL COLORANT COMBINATION | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-07-05 | — | — | WO | disclosed |