⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL769225 | 0.61 | — | — | |
| SCHEMBL6446353 | 0.58 | — | — | |
| SCHEMBL3035808 | 0.57 | — | — | |
| SCHEMBL11196353 | 0.56 | — | — | |
| SCHEMBL1483671 | 0.54 | — | — | |
| SCHEMBL9569252 | 0.54 | — | — | |
| SCHEMBL9621966 | 0.54 | — | — | |
| SCHEMBL3309298 | 0.53 | — | — | |
| SCHEMBL4417646 | 0.51 | — | — | |
| SCHEMBL3072076 | 0.32 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5783577-A | COMBINATORIAL LIBRARY FOR DRUG SCREENING | TREGA BIOSCIENCES, INC. (US) | 1998-07-21 | — | — | US | claimed |
| WO-1998011438-A1 | SYNTHESIS OF QUINAZOLINONE LIBRARIES AND DERIVATIVES THEREOF | TREGA BIOSCIENCES, INC. (US) | 1998-03-19 | — | — | WO | claimed |
| US-5783577-A | COMBINATORIAL LIBRARY FOR DRUG SCREENING | TREGA BIOSCIENCES, INC. (US) | 1998-07-21 | — | — | US | disclosed |
| WO-1998011438-A1 | SYNTHESIS OF QUINAZOLINONE LIBRARIES AND DERIVATIVES THEREOF | TREGA BIOSCIENCES, INC. (US) | 1998-03-19 | — | — | WO | disclosed |