⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16653999 | 0.95 | TSHR (0.34) | — | |
| SCHEMBL3627376 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL3079525 | 0.80 | GPR84 (0.46) | — | |
| SCHEMBL101280 | 0.78 | — | — | |
| SCHEMBL6629233 | 0.78 | — | — | |
| SCHEMBL10696540 | 0.78 | — | — | |
| SCHEMBL11025503 | 0.77 | — | — | |
| SCHEMBL2136226 | 0.76 | — | — | |
| SCHEMBL5377604 | 0.76 | — | — | |
| SCHEMBL6427608 | 0.76 | EGLN1 (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0402722-B1 | Process for the preparation of pyrazol and derivatives | BASF AG (DE) | 1994-01-26 | — | — | EP | claimed |
| US-4996327-A | Dehydrogenation of 2-pyrazoline in sulfunc acid and iodine or iodine compound | BASF AKTIENGESELLSCHAFT (DE) | 1991-02-26 | — | — | US | claimed |
| US-6229022-B1 | REACTING CARBONYL COMPOUNDS WITH HYDRAZINE, ITS HYDRATE OR SALTS IN THE PRESENCE OF SULFURIC ACID AND IODINE OR AN IODINE LIBERATING COMPOUND | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-08 | — | — | US | disclosed |
| EP-0402722-B1 | Process for the preparation of pyrazol and derivatives | BASF AG (DE) | 1994-01-26 | — | — | EP | disclosed |
| US-4996327-A | Dehydrogenation of 2-pyrazoline in sulfunc acid and iodine or iodine compound | BASF AKTIENGESELLSCHAFT (DE) | 1991-02-26 | — | — | US | disclosed |
| EP-0405271-A1 | Process for the production 1,3-dioxolane and 1,3-dioxane derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-01-02 | — | — | EP | disclosed |
| EP-0402722-A1 | Process for the preparation of pyrazol and derivatives | BASF Aktiengesellschaft (DE) | 1990-12-19 | — | — | EP | disclosed |