⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22534914 | 1.00 | — | — | |
| SCHEMBL20113139 | 1.00 | — | — | |
| SCHEMBL24826127 | 1.00 | — | — | |
| SCHEMBL20113145 | 0.83 | — | — | |
| SCHEMBL26452301 | 0.83 | — | — | |
| SCHEMBL24272898 | 0.81 | DPP4 (0.31) | — | |
| SCHEMBL22220326 | 0.81 | DPP4 (0.31) | — | |
| SCHEMBL23073796 | 0.81 | — | — | |
| SCHEMBL12869043 | 0.79 | — | — | |
| SCHEMBL14297617 | 0.79 | — | — |
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-20240239813-A1 | KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF | Risen (Suzhou) Pharma Tech Co., Ltd. (CN) | 2024-07-18 | — | — | US | disclosed |
| WO-2024028458-A2 | MUSCARINIC RECEPTOR AGONISTS | HEPTARES THERAPEUTICS LIMITED (GB) | 2024-02-08 | — | — | WO | disclosed |
| WO-2023086432-A1 | PRODRUGS OF NEUROSTEROID ANALOGS AND USES THEREOF | EMORY UNIVERSITY (US) | 2023-05-19 | — | — | WO | disclosed |