⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6114283 | 0.93 | — | — | |
| SCHEMBL1034374 | 0.90 | PDK1 (0.34) | — | |
| SCHEMBL12224296 | 0.86 | LIPA (0.32) | — | |
| SCHEMBL6410197 | 0.86 | — | — | |
| SCHEMBL14958773 | 0.79 | — | — | |
| SCHEMBL13640707 | 0.78 | LIPA (0.42) | — | |
| SCHEMBL23570077 | 0.75 | — | — | |
| SCHEMBL11105755 | 0.75 | — | — | |
| SCHEMBL15160321 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL28984601 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021122645-A1 | PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2021-06-24 | — | — | WO | disclosed |
| WO-2017201683-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-11-30 | — | — | WO | disclosed |
| EP-1954668-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | disclosed |
| US-7557113-B2 | Substituted pyrrolo[3,2-d]pyrimidine derivatives | TEIJIN PHARMA LIMITED (JP) | 2009-07-07 | — | — | US | disclosed |
| US-7557113-B2 | Substituted pyrrolo[3,2-d]pyrimidine derivatives | TEIJIN PHARMA LIMITED (JP) | 2009-07-07 | — | — | US | disclosed |
| WO-2007062314-A2 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |