⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17993642 | 0.72 | — | — | |
| SCHEMBL14759867 | 0.69 | — | — | |
| SCHEMBL16711580 | 0.67 | — | — | |
| SCHEMBL1062511 | 0.59 | NFKB1 (0.31) | — | |
| SCHEMBL9721436 | 0.57 | NFKB1 (0.40) | — | |
| SCHEMBL10510524 | 0.54 | — | — | |
| Propylamine SCHEMBL7065649 | 0.51 | — | — | |
| Propylamine SCHEMBL15476979 | 0.51 | DNM1 (0.44) | — | |
| Ethylenediamine SCHEMBL5694570 | 0.51 | — | — | |
| Ethylenediamine SCHEMBL987032 | 0.51 | NFKB1 (0.40) | — |
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-8114870-B2 | Method of treating disease states using substituted pyrazole compounds | MIIKANA THERAPEUTICS, INC. (US) | 2012-02-14 | — | — | US | disclosed |
| US-20090264422-A1 | METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS | MIIKANA THERAPEUTICS, INC. | 2009-10-22 | — | — | US | disclosed |