⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11289678 | 0.81 | — | — | |
| SCHEMBL79662 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL2058215 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL1243856 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL10889630 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL6842491 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL595314 | 0.73 | PTPN1 (0.32) | — | |
| SCHEMBL6900153 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL79154 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL6842515 | 0.70 | TSHR (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6787592-B1 | OLEOPHILIC NANOCOMPOSITES | SOUTHERN CLAY PRODUCTS, INC. | 2004-09-07 | — | — | US | claimed |
| US-6037315-A | QUATERNARY AMMONIUM SALT COMPRISING MIXTURE OF MONO-, DI- AND TRI-ESTER COMPONENTS; USED AS A FABRIC SOFTENER AND AS A HAIR AND SKIN CONDITIONER | AKZO NOBEL NV (NL) | 2000-03-14 | — | — | US | claimed |
| US-6787592-B1 | OLEOPHILIC NANOCOMPOSITES | SOUTHERN CLAY PRODUCTS, INC. | 2004-09-07 | — | — | US | disclosed |
| US-6770608-B2 | TEXTILE SOFTENING; HAIR AND SKIN CONDITIONER | AKZO NOBEL N.V. (NL) | 2004-08-03 | — | — | US | disclosed |
| US-20020025915-A1 | High Di(alkyl fatty ester) amines and quaternary ammonium compounds derived therefrom | AKZO NOBEL N.V. (NL) | 2002-02-28 | — | — | US | disclosed |
| US-6323167-B1 | COMPOSITIONS WHICH COMPRISE QUATERNARY AMMONIUM BASED SOFTENING AGENTS WHICH ARE HIGH IN DIESTER AND LOW IN TRIESTER CONTENT | AKZO NOBEL N.V. (NL) | 2001-11-27 | — | — | US | disclosed |
| US-6037315-A | QUATERNARY AMMONIUM SALT COMPRISING MIXTURE OF MONO-, DI- AND TRI-ESTER COMPONENTS; USED AS A FABRIC SOFTENER AND AS A HAIR AND SKIN CONDITIONER | AKZO NOBEL NV (NL) | 2000-03-14 | — | — | US | disclosed |