⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21678299 | 1.00 | — | — | |
| SCHEMBL13688774 | 1.00 | — | — | |
| SCHEMBL5858692 | 0.93 | — | — | |
| SCHEMBL29509148 | 0.90 | GPR35 (0.39) | — | |
| SCHEMBL12125406 | 0.88 | GPR35 (0.31) | — | |
| SCHEMBL14548168 | 0.87 | — | — | |
| SCHEMBL12478195 | 0.86 | GPR35 (0.32) | — | |
| SCHEMBL14304776 | 0.86 | GPR35 (0.32) | — | |
| SCHEMBL12589439 | 0.85 | — | — | |
| SCHEMBL12482141 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130123508-A1 | NOVEL NONLINEAR CHROMOPHORES ESPECIALLY SUITED FOR USE IN ELECTRO-OPTICAL MODULATION | ECOLE NORMALE SUPERIEURE DE LYON (FR) | 2013-05-16 | — | — | US | disclosed |
| US-20130123508-A1 | NOVEL NONLINEAR CHROMOPHORES ESPECIALLY SUITED FOR USE IN ELECTRO-OPTICAL MODULATION | ECOLE NORMALE SUPERIEURE DE LYON (FR) | 2013-05-16 | — | — | US | disclosed |