⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10492044 | 0.69 | FAAH (0.43) | — | |
| SCHEMBL20412726 | 0.67 | GAA (0.38) | — | |
| SCHEMBL5833033 | 0.67 | KDM4E (0.34) | — | |
| SCHEMBL14694279 | 0.64 | HSD11B1 (0.38) | — | |
| SCHEMBL6620993 | 0.64 | CCR1 (0.57) | — | |
| SCHEMBL14128156 | 0.64 | — | — | |
| SCHEMBL17790297 | 0.64 | — | — | |
| SCHEMBL16347029 | 0.62 | NPC1 (0.49) | — | |
| SCHEMBL8122697 | 0.61 | CCR1 (0.54) | — | |
| SCHEMBL15823564 | 0.61 | SCN4A (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079781-B | Synthesis method of 5-bromo-1-methyl-1H-pyrazol-3-amine | 苏州康润医药有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-112079781-A | Synthesis method of 5-bromo-1-methyl-1H-pyrazol-3-amine | 苏州康润医药有限公司 | 2020-12-15 | — | — | CN | disclosed |
| US-4795817-A | FUNGICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-01-03 | — | — | US | disclosed |
| WO-1985001732-A1 | 8-SUBSTITUTED PYRAZOLOPENTATHIEPINS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-04-25 | — | — | WO | disclosed |
| EP-0138622-A2 | 8-substituted pyrazolopentathiepins and related compounds | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-04-24 | — | — | EP | disclosed |