⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18729967 | 0.76 | — | — | |
| SCHEMBL18869958 | 0.74 | — | — | |
| SCHEMBL12765409 | 0.72 | GRIA4 (0.31) | — | |
| SCHEMBL18869977 | 0.72 | — | — | |
| SCHEMBL7284466 | 0.71 | — | — | |
| SCHEMBL31607466 | 0.70 | MMP1 (0.32) | — | |
| SCHEMBL1445474 | 0.69 | — | — | |
| SCHEMBL3760385 | 0.69 | — | — | |
| SCHEMBL2127280 | 0.69 | — | — | |
| SCHEMBL3043384 | 0.65 | POLB (0.44) | — |
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-20230047816-A1 | PFKFB3 INHIBITORS AND THEIR USES | GERO PTE. LTD. (SG) | 2023-02-16 | — | — | US | disclosed |
| EP-1699760-B1 | ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS | MERCK SHARP & DOHME (US) | 2017-05-17 | — | — | EP | disclosed |