⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10050522 | 0.84 | — | — | |
| SCHEMBL569591 | 0.84 | — | — | |
| SCHEMBL561105 | 0.84 | — | — | |
| SCHEMBL9606081 | 0.84 | — | — | |
| SCHEMBL11421394 | 0.84 | — | — | |
| SCHEMBL9605762 | 0.84 | — | — | |
| SCHEMBL1461040 | 0.84 | — | — | |
| SCHEMBL278784 | 0.84 | — | — | |
| SCHEMBL19860431 | 0.84 | — | — | |
| SCHEMBL561437 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130085271-A1 | POST-SYNTHETIC MODIFICATION OF NUCLEIC ACIDS BY INVERSE DIELS-ALDER REACTION | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 2013-04-04 | — | — | US | disclosed |
| US-20130085271-A1 | POST-SYNTHETIC MODIFICATION OF NUCLEIC ACIDS BY INVERSE DIELS-ALDER REACTION | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 2013-04-04 | — | — | US | disclosed |
| WO-1993004070-A1 | SUBSTITUTED ACRYLAMIDO-PENICILLANIC ACID DERIVATIVES | SMITHKLINE BEECHAM, PLC (GB) | 1993-03-04 | — | — | WO | disclosed |