⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17920784 | 1.00 | — | — | |
| SCHEMBL12930092 | 0.81 | — | — | |
| SCHEMBL1617888 | 0.75 | — | — | |
| SCHEMBL3661930 | 0.75 | — | — | |
| SCHEMBL294271 | 0.75 | — | — | |
| SCHEMBL10600268 | 0.71 | — | — | |
| SCHEMBL16287942 | 0.71 | — | — | |
| SCHEMBL8060100 | 0.71 | — | — | |
| SCHEMBL10600274 | 0.71 | — | — | |
| SCHEMBL9779530 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0474037-B1 | Process for the production of 3-methylpyrazole | BASF AG (DE) | 1994-07-13 | — | — | EP | claimed |
| US-5128480-A | Reacting butenediols, ethynylalkylcarbinols or their acylates in sulfuric acid with a hydrazine compound using iodine or an iodine compound catalyst | BASF AKTIENGESELLSCHAFT (DE) | 1992-07-07 | — | — | US | claimed |
| JP-4270268-A | — | — | None | — | — | JP | disclosed |
| 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 |
| JP-H04270268-A | PRODUCTION OF 3-METHYLPYRAZOLE | BASF AG | 1992-09-25 | — | — | JP | disclosed |
| US-5128480-A | Reacting butenediols, ethynylalkylcarbinols or their acylates in sulfuric acid with a hydrazine compound using iodine or an iodine compound catalyst | BASF AKTIENGESELLSCHAFT (DE) | 1992-07-07 | — | — | US | disclosed |
| US-5128480-A | Reacting butenediols, ethynylalkylcarbinols or their acylates in sulfuric acid with a hydrazine compound using iodine or an iodine compound catalyst | BASF AKTIENGESELLSCHAFT (DE) | 1992-07-07 | — | — | US | disclosed |
| EP-0474037-A1 | Process for the production of 3-methylpyrazole | BASF Aktiengesellschaft (DE) | 1992-03-11 | — | — | EP | disclosed |