⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17648154 | 0.77 | MAP3K7 (0.39) | — | |
| SCHEMBL24687080 | 0.76 | — | — | |
| SCHEMBL3263607 | 0.76 | — | — | |
| SCHEMBL2388472 | 0.76 | — | — | |
| SCHEMBL18463660 | 0.76 | — | — | |
| SCHEMBL7515606 | 0.73 | — | — | |
| SCHEMBL20001038 | 0.72 | L3MBTL1 (0.51) | — | |
| SCHEMBL3261638 | 0.71 | TSHR (0.52) | — | |
| SCHEMBL18418863 | 0.70 | MAPT (0.42) | — | |
| SCHEMBL3263726 | 0.70 | TSHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010015657-A2 | NEW ALKOXYPYRAZOLES | INSTITUT PASTEUR (FR) | 2010-02-11 | — | — | WO | disclosed |
| WO-2010015657-A2 | NEW ALKOXYPYRAZOLES | INSTITUT PASTEUR (FR) | 2010-02-11 | — | — | WO | disclosed |