⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19706383 | 0.86 | GABRR3 (0.32) | — | |
| SCHEMBL12455695 | 0.79 | — | — | |
| SCHEMBL26415015 | 0.75 | — | — | |
| SCHEMBL14614581 | 0.73 | — | — | |
| SCHEMBL10782074 | 0.73 | — | — | |
| SCHEMBL11582590 | 0.72 | — | — | |
| SCHEMBL11582593 | 0.72 | — | — | |
| SCHEMBL13344721 | 0.71 | — | — | |
| SCHEMBL15868226 | 0.71 | — | — | |
| SCHEMBL14219880 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3538246-B1 | AIR FILTERS COMPRISING METAL-CONTAINING POLYMERIC SORBENTS | 3M INNOVATIVE PROPERTIES CO (US) | 2021-06-09 | — | — | EP | disclosed |
| WO-2007129195-A2 | 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS | PFIZER PRODUCTS INC. (US) | 2007-11-15 | — | — | WO | disclosed |