⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5858559 | 0.71 | — | — | |
| SCHEMBL7919062 | 0.61 | GSK3A (0.32) | — | |
| SCHEMBL11059191 | 0.58 | — | — | |
| SCHEMBL1506467 | 0.55 | — | — | |
| SCHEMBL10870360 | 0.53 | GSK3A (0.35) | — | |
| SCHEMBL472918 | 0.53 | — | — | |
| SCHEMBL3291481 | 0.51 | — | — | |
| SCHEMBL7393081 | 0.51 | — | — | |
| SCHEMBL10474054 | 0.51 | MAOA (0.34) | — | |
| SCHEMBL8433348 | 0.51 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7060109-B2 | Hair dyeing agents containing indigo derivatives | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGA A) (DE) | 2006-06-13 | — | — | US | disclosed |
| EP-1299073-B1 | AGENTS FOR COLOURING KERATIN FIBRES, CONTAINING DERIVATIVES OF BENZO(B)FURANE-3-ONE AND/OR BENZO(B)THIOPHENE-3-ONE | HENKEL KGAA (DE) | 2005-04-20 | — | — | EP | disclosed |
| EP-1317243-B1 | HAIR DYEING AGENTS CONTAINING INDIGO DERIVATIVES | HENKEL KGAA (DE) | 2004-11-24 | — | — | EP | disclosed |
| US-20040031108-A1 | Hair dyeing agents containing indigo derivatives | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2004-02-19 | — | — | US | disclosed |
| EP-1317243-A1 | HAIR DYEING AGENTS CONTAINING INDIGO DERIVATIVES | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-06-11 | — | — | EP | disclosed |
| EP-1299073-A2 | AGENTS FOR COLOURING KERATIN FIBRES, CONTAINING DERIVATIVES OF BENZO(B)FURANE-3-ONE AND/OR BENZO(B)THIOPHENE-3-ONE | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002022092-A1 | HAIR DYEING AGENTS CONTAINING INDIGO DERIVATIVES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-03-21 | — | — | WO | disclosed |
| WO-2002000180-A2 | AGENTS FOR COLOURING KERATIN FIBRES, CONTAINING DERIVATIVES OF BENZO[B]FURANE-3-ONE AND/OR BENZO[B]THIOPHENE-3-ONE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-01-03 | — | — | WO | disclosed |