⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2283117 | 0.78 | HDAC4 (0.34) | — | |
| Ethylene SCHEMBL27402897 | 0.75 | HDAC4 (0.32) | — | |
| Biphenyl SCHEMBL28885424 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL7776293 | 0.71 | — | — | |
| SCHEMBL30663214 | 0.69 | KDM1A (0.36) | — | |
| SCHEMBL4630348 | 0.69 | GRIN2B (0.33) | — | |
| SCHEMBL11881975 | 0.68 | — | — | |
| SCHEMBL30868877 | 0.68 | NPC1 (0.39) | — | |
| SCHEMBL30940607 | 0.67 | SLC6A2 (0.36) | — | |
| SCHEMBL27636806 | 0.66 | MTOR (0.34) | — |
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-20040194666-A1 | Pigment compositions for coatings | CIBA SPECIALTY CHEMICALS CORP. | 2004-10-07 | — | — | US | claimed |
| US-20040194666-A1 | Pigment compositions for coatings | CIBA SPECIALTY CHEMICALS CORP. | 2004-10-07 | — | — | US | disclosed |
| EP-0811625-B1 | Process for preparing diketopyrrolopyrrole derivatives | CIBA SC HOLDING AG (CH) | 2002-04-17 | — | — | EP | disclosed |
| EP-0811625-A2 | Process for preparing diketopyrrolopyrrole derivatives | Ciba SC Holding AG (CH) | 1997-12-10 | — | — | EP | disclosed |