⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5297185 | 0.94 | NPC1 (0.31) | — | |
| SCHEMBL5813740 | 0.92 | NPC1 (0.33) | — | |
| SCHEMBL5291206 | 0.92 | NPC1 (0.33) | — | |
| SCHEMBL5284457 | 0.92 | NPC1 (0.33) | — | |
| SCHEMBL5288501 | 0.92 | NPC1 (0.33) | — | |
| SCHEMBL5297507 | 0.92 | NPC1 (0.33) | — | |
| SCHEMBL5306231 | 0.92 | NPC1 (0.33) | — | |
| SCHEMBL5292068 | 0.92 | NPC1 (0.33) | — | |
| SCHEMBL5289396 | 0.92 | NPC1 (0.33) | — | |
| SCHEMBL5814420 | 0.92 | NPC1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2007006418-A1 | IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-01-18 | — | — | WO | disclosed |
| WO-2006131234-A1 | COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-12-14 | — | — | WO | disclosed |
| CN-1247531-C | Preparation method of 2,3-dichloro propionitrile | UNIV HUANAN TECHNOLOGY (CN) | 2006-03-29 | — | — | CN | disclosed |
| CN-1556099-A | Preparation method of 2,3-dichloro propionitrile | 华南理工大学 | 2004-12-22 | — | — | CN | disclosed |