⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL681065 | 0.90 | — | — | |
| SCHEMBL11265137 | 0.86 | NAAA (0.30) | — | |
| SCHEMBL2599 | 0.79 | — | — | |
| SCHEMBL9738890 | 0.76 | — | — | |
| SCHEMBL7054790 | 0.76 | — | — | |
| SCHEMBL2952011 | 0.76 | — | — | |
| SCHEMBL304992 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL2565171 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL7051098 | 0.73 | — | — | |
| SCHEMBL9219931 | 0.73 | TSHR (0.53) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050161184-A1 | Amphoteric and cationic fluorescent whitening agents | CIBA SPECIALTY CHEMICALS CORP. | 2005-07-28 | — | — | US | claimed |
| US-20180362552-A1 | BETAINE-BASED SILICON COMPOUND, METHOD FOR PRODUCING SAME, HYDROPHILIC COATING LIQUID COMPOSITION, AND COATING FILM | KRI, INC. (JP) | 2018-12-20 | — | — | US | disclosed |
| US-20050161184-A1 | Amphoteric and cationic fluorescent whitening agents | CIBA SPECIALTY CHEMICALS CORP. | 2005-07-28 | — | — | US | disclosed |