⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6461860 | 0.63 | — | — | |
| SCHEMBL6136797 | 0.63 | — | — | |
| SCHEMBL426079 | 0.48 | — | — | |
| SCHEMBL12644560 | 0.47 | LMNA (0.37) | — | |
| SCHEMBL17205088 | 0.45 | — | — | |
| SCHEMBL22525000 | 0.44 | NOS3 (0.33) | — | |
| SCHEMBL19017786 | 0.44 | — | — | |
| SCHEMBL3417387 | 0.41 | CYP1A2 (0.47) | — | |
| SCHEMBL8404423 | 0.41 | ESR1 (0.36) | — | |
| SCHEMBL31073495 | 0.40 | MEN1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6949614-B1 | Catalyst system | BASELL POLYOLEFINE GMBH (DE) | 2005-09-27 | — | — | US | disclosed |
| EP-1290002-B1 | CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2004-01-21 | — | — | EP | disclosed |
| EP-1084096-B1 | METHOD FOR PRODUCING CYCLOPENTANONE | BASF AG (DE) | 2003-10-01 | — | — | EP | disclosed |
| EP-1015408-B1 | METHOD FOR PRODUCING CYCLOPENTANONE AND CYCLOPENTENE-1-CARBOXYLIC ACID AND THEIR ESTERS | BASF AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| EP-1084096-A1 | METHOD FOR PRODUCING CYCLOPENTANONE | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-21 | — | — | EP | disclosed |
| EP-1015408-A1 | METHOD FOR PRODUCING CYCLOPENTANONE AND CYCLOPENTENE-1-CARBOXYLIC ACID AND THEIR ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999061402-A1 | METHOD FOR PRODUCING CYCLOPENTANONE | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-02 | — | — | WO | disclosed |
| WO-1999012883-A1 | METHOD FOR PRODUCING CYCLOPENTANONE AND CYCLOPENTENE-1-CARBOXYLIC ACID AND THEIR ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-18 | — | — | WO | disclosed |