⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15511330 | 0.84 | NOTUM (0.30) | — | |
| SCHEMBL15511329 | 0.84 | NOTUM (0.30) | — | |
| SCHEMBL15483159 | 0.77 | — | — | |
| SCHEMBL2239433 | 0.77 | — | — | |
| SCHEMBL6587600 | 0.69 | — | — | |
| SCHEMBL29172662 | 0.69 | — | — | |
| SCHEMBL27624476 | 0.68 | — | — | |
| SCHEMBL11576556 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL7757478 | 0.58 | — | — | |
| SCHEMBL28341847 | 0.56 | NOTUM (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1239013-B1 | Novel lightfast additive molecule in ink jet ink formulations | HEWLETT PACKARD CO (US) | 2004-12-29 | — | — | EP | disclosed |
| US-20030116059-A1 | Novel lightfast additive molecule for inkjet ink | HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. | 2003-06-26 | — | — | US | disclosed |
| US-6508872-B2 | Benzene or naphthalene mono- or di- sulfonic acids or carboxylic acids or salts thereof with an amine or ether linkage to triazine, benzotriazole, tetrazole, or benzimidazole | HEWLETT-PACKARD COMPANY | 2003-01-21 | — | — | US | disclosed |
| US-20020174802-A1 | Novel lightfast additive molecule for inkjet ink | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2002-11-28 | — | — | US | disclosed |
| EP-1239013-A1 | Novel lightfast additive molecule for inkjet ink | Hewlett-Packard Company (US) | 2002-09-11 | — | — | EP | disclosed |