⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6017513 | 0.93 | — | — | |
| SCHEMBL9394736 | 0.91 | CYP1A2 (0.39) | — | |
| SCHEMBL29196043 | 0.79 | CHRNB2 (0.35) | — | |
| SCHEMBL5845750 | 0.77 | — | — | |
| SCHEMBL28317556 | 0.77 | — | — | |
| SCHEMBL28316687 | 0.77 | — | — | |
| SCHEMBL23060611 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL29055582 | 0.75 | CHRNB2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29055584 | 0.75 | CHRNB2 (0.33) | — | |
| SCHEMBL14454189 | 0.73 | CHRNB4 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996005799-A1 | HAIR DYE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1996-02-29 | — | — | WO | disclosed |