⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9185177 | 0.69 | — | — | |
| SCHEMBL5720348 | 0.69 | — | — | |
| SCHEMBL15019465 | 0.69 | — | — | |
| SCHEMBL19381 | 0.69 | — | — | |
| SCHEMBL17728716 | 0.69 | — | — | |
| SCHEMBL17728713 | 0.69 | — | — | |
| SCHEMBL5087641 | 0.69 | — | — | |
| SCHEMBL3376512 | 0.69 | — | — | |
| SCHEMBL10513792 | 0.69 | — | — | |
| SCHEMBL10390256 | 0.69 | TSHR (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2036874-A1 | Preparation of 1,1,1,3,3-pentachlorobutane and 1,1,1,3,3-pentafluorobutane | Arkema France (FR) | 2009-03-18 | — | — | EP | disclosed |
| CN-1285552-C | Process for preparing 1,1,1,3,3-pentachloro butane | ZHEJIANG LANTIAN ENVIRONMENTAL (CN) | 2006-11-22 | — | — | CN | disclosed |
| CN-1629110-A | Process for preparing 1,1,1,3,3-pentachloro butane | ZHEJIANG LANTIAN ENVIRONMENTAL (CN) | 2005-06-22 | — | — | CN | disclosed |
| EP-1270536-A2 | Process for the preparation of 1,1,1,3,3-pentachlorobutane and of 1,1,1,3,3-pentafluorobutane | Atofina (FR) | 2003-01-02 | — | — | EP | disclosed |
| EP-0787707-B1 | Preparation of 1,1,1,3,3-pentachlorobutane and of 1,1,1,3,3-pentafluorobutane | ATOFINA (FR) | 2002-09-18 | — | — | EP | disclosed |
| CN-1077871-C | Preparation of 1,1,1,3,3-pentachlorobutane and 1,1,1,3,3-pentafluorobutane | ATOCHEM ELF SA (FR) | 2002-01-16 | — | — | CN | disclosed |
| US-5917098-A | ADDITION OF CARBON TETRACHLORIDE TO 2-CHLOROPROPENE IN PRESENCE OF CUPROUS CHLORIDE AND MONO, DI OR TRIALKYL OR CYLCOHEXYLAMINE TO FORM 1,1,1,3,3-PENTACHLOROBUTANE, FLUORINATING THE PRODUCT WITH HYDROGEN FLUORIDE | ELF ATOCHEM S.A. (FR) | 1999-06-29 | — | — | US | disclosed |
| CN-1161319-A | Preparation of 1,1,1,3,3-pentachlorobutane and 1,1,1,3,3-pentafluorobutane | ATOCHEM ELF SA (FR) | 1997-10-08 | — | — | CN | disclosed |
| EP-0787707-A1 | Preparation of 1,1,1,3,3-pentachlorobutane and of 1,1,1,3,3-pentafluorobutane | ELF ATOCHEM S.A. (FR) | 1997-08-06 | — | — | EP | disclosed |