⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3283077 | 0.76 | ALOX5 (0.45) | — | |
| SCHEMBL1193 | 0.76 | — | — | |
| SCHEMBL5264334 | 0.73 | — | — | |
| SCHEMBL308145 | 0.72 | — | — | |
| SCHEMBL3357906 | 0.71 | — | — | |
| SCHEMBL21094864 | 0.71 | — | — | |
| SCHEMBL7981776 | 0.71 | — | — | |
| SCHEMBL6773595 | 0.71 | — | — | |
| SCHEMBL5116638 | 0.71 | — | — | |
| SCHEMBL4446407 | 0.71 | — | — |
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-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |