⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31710606 | 0.72 | — | — | |
| SCHEMBL11824020 | 0.66 | HPGD (0.38) | — | |
| SCHEMBL8404495 | 0.65 | KDM4E (0.40) | — | |
| SCHEMBL21960934 | 0.64 | IKBKB (0.32) | — | |
| SCHEMBL6420314 | 0.64 | MAPK1 (0.46) | — | |
| SCHEMBL10105028 | 0.62 | KMT2A (0.40) | — | |
| SCHEMBL7190777 | 0.62 | — | — | |
| SCHEMBL15110503 | 0.60 | TK2 (0.60) | — | |
| SCHEMBL7141531 | 0.59 | MAPK1 (0.46) | — | |
| SCHEMBL13196023 | 0.59 | MAPK1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023116734-A1 | FUSED PYRROLIDINE COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF RESPIRATORY VIRAL INFECTIONS | SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) | 2023-06-29 | — | — | WO | disclosed |
| US-9233951-B2 | Heterocyclic compounds as pesticides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-01-12 | — | — | US | disclosed |
| US-20120094837-A1 | Novel Heterocyclic Compounds as Pesticides | BAYER CROP SCIENCE AG (DE) | 2012-04-19 | — | — | US | disclosed |