⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6017978 | 0.98 | — | — | |
| SCHEMBL715176 | 0.94 | — | — | |
| SCHEMBL2528409 | 0.89 | MAOA (0.31) | — | |
| SCHEMBL11863151 | 0.87 | SIGMAR1 (0.32) | — | |
| SCHEMBL1278624 | 0.85 | — | — | |
| SCHEMBL3450884 | 0.84 | HTR2A (0.30) | — | |
| SCHEMBL216358 | 0.79 | — | — | |
| SCHEMBL83982 | 0.79 | KCNH2 (0.42) | — | |
| SCHEMBL14918942 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL3098867 | 0.79 | TDP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7066969-B2 | Dyes incorporating annionic and cationic groups | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2006-06-27 | — | — | US | disclosed |
| US-20040205912-A1 | Dyes incorporating annionic and cationic groups | CIBA SPECIALTY CHEMICALS CORP. | 2004-10-21 | — | — | US | disclosed |
| EP-1442082-A1 | DYES INCORPORATING ANIONIC AND CATIONIC GROUPS | Ciba SC Holding AG (CH) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003010239-A1 | DYES INCORPORATING ANIONIC AND CATIONIC GROUPS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-02-06 | — | — | WO | disclosed |