⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL384244 | 0.75 | — | — | |
| SCHEMBL10887946 | 0.74 | HSD17B10 (0.38) | — | |
| SCHEMBL791153 | 0.73 | — | — | |
| SCHEMBL459425 | 0.71 | — | — | |
| SCHEMBL9413479 | 0.71 | — | — | |
| SCHEMBL6228888 | 0.71 | — | — | |
| SCHEMBL23264431 | 0.70 | HSD17B10 (0.35) | — | |
| SCHEMBL83558 | 0.69 | — | — | |
| SCHEMBL9431077 | 0.69 | — | — | |
| SCHEMBL16688130 | 0.69 | HSD17B10 (0.32) | — |
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-1117717-C | Method for preparing 5,5,5-trichloro-2-methyl-2-pentene | DALIAN CHEMICAL PHYSICS INST (CN) | 2003-08-13 | — | — | CN | disclosed |
| CN-1303842-A | Method for preparing 5,5,5-trichloro-2-methyl-2-pentene | DALIAN CHEMICAL PHYSICS INST (CN) | 2001-07-18 | — | — | CN | disclosed |
| EP-0107839-A1 | 1,1,1,4-Tetrahalogeno-4-alkyl pentanes and process for the preparation of 1,1,1,4-tetrahalogeno-4-alkyl pentanes and of 1,1-dihalogeno-4-alkyl pentadienes-1,3 | BASF Aktiengesellschaft (DE) | 1984-05-09 | — | — | EP | disclosed |
| US-RE31330-E | ACID CATALYSTS | KURARAY CO., LTD. (JP) | 1983-08-02 | — | — | US | disclosed |
| US-4053380-A | 1,1,1-TRIHALOGENO-4-METHYLPENTENES, METHOD OF PREPARING THE SAME AND USE OF THE SAME IN THE PREPARATION OF 1,1-DIHALOGENO-4-METHYL-1,3-PENTADIENES | KURRARAY CO., LTD. (JA) | 1977-10-11 | — | — | US | disclosed |