⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4954861 | 0.77 | — | — | |
| SCHEMBL4951696 | 0.64 | — | — | |
| SCHEMBL4952993 | 0.61 | CHEK1 (0.31) | — | |
| SCHEMBL5487294 | 0.61 | SMPD3 (0.31) | — | |
| SCHEMBL4953380 | 0.55 | — | — | |
| SCHEMBL19534180 | 0.52 | IDO1 (0.40) | — | |
| SCHEMBL400016 | 0.52 | CHEK1 (0.31) | — | |
| SCHEMBL187404 | 0.52 | — | — | |
| Bromide SCHEMBL7898147 | 0.50 | MEN1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL3583511 | 0.50 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7341606-B2 | Medium and bicyclic fused 5-5-membered aza heteroaromatic derivative having ring junction nitrogen and N-hydroxy or N-amino group as developer and coupler; safe; kits | THE PROCTER & GAMBLE COMPANY (US) | 2008-03-11 | — | — | US | claimed |
| US-20070050923-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | WELLA OPERATIONS US, LLC | 2007-03-08 | — | — | US | claimed |
| US-7341606-B2 | Medium and bicyclic fused 5-5-membered aza heteroaromatic derivative having ring junction nitrogen and N-hydroxy or N-amino group as developer and coupler; safe; kits | THE PROCTER & GAMBLE COMPANY (US) | 2008-03-11 | — | — | US | disclosed |
| EP-1796615-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter & Gamble Company (US) | 2007-06-20 | — | — | EP | disclosed |
| US-20070050923-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | WELLA OPERATIONS US, LLC | 2007-03-08 | — | — | US | disclosed |
| WO-2006026433-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2006-03-09 | — | — | WO | disclosed |