⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7856505 | 0.81 | — | — | |
| SCHEMBL8125114 | 0.81 | — | — | |
| SCHEMBL10715452 | 0.80 | — | — | |
| SCHEMBL30286384 | 0.78 | — | — | |
| SCHEMBL708992 | 0.77 | — | — | |
| SCHEMBL11703790 | 0.77 | — | — | |
| SCHEMBL29536905 | 0.77 | — | — | |
| SCHEMBL11581030 | 0.77 | — | — | |
| SCHEMBL7751750 | 0.75 | — | — | |
| SCHEMBL23223078 | 0.74 | — | — |
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-6500363-B1 | CHARGED AROMATIC DONOR/ACCEPTOR MOIETIES WITH MOLECULAR POLYHEDRAL AND PI-DELOCALIZED-BASED SYSTEMS PROVIDES COMPOUNDS WITH EXCEPTIONAL NLO RESPONSES; BORON CAGE COMPOUNDS | SYRACUSE UNIVERSITY | 2002-12-31 | — | — | US | claimed |
| WO-2001000631-A1 | NEW CLASSES OF HIGH LINEAR AND NONLINEAR RESPONSE COMPOUNDS | NANOWORKS, INC. (US) | 2001-01-04 | — | — | WO | claimed |
| US-3969392-A | PARASITICIDE, BACTERICIDE, ANTIINFLAMMATORY, SURFACTANT | E. R. SQUIBB & SONS, INC. (US) | 1976-07-13 | — | — | US | disclosed |