⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20112700 | 0.56 | CES1 (0.52) | — | |
| SCHEMBL4160455 | 0.55 | ALDH1A1 (0.44) | — | |
| SCHEMBL3984459 | 0.55 | — | — | |
| SCHEMBL19322587 | 0.51 | RXRA (0.39) | — | |
| SCHEMBL8985401 | 0.51 | HTR2C (0.34) | — | |
| SCHEMBL19506878 | 0.51 | TOP2A (0.33) | — | |
| SCHEMBL2461660 | 0.50 | KDM4E (0.33) | — | |
| SCHEMBL3975975 | 0.50 | TDP2 (0.33) | — | |
| SCHEMBL806442 | 0.50 | KDM4E (0.45) | — | |
| SCHEMBL3826888 | 0.50 | ALDH1A1 (0.53) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6759500-B1 | PRODUCING FIBERS, FILMS AND MOLDINGS, IN PARTICULAR FOR PRODUCING TUBES HAVING A HIGH CREEP RUPTURE STRENGTH UNDER INTERNAL PRESSURE | BASELL POLYOLEFINE GMBH (DE) | 2004-07-06 | — | — | US | disclosed |
| US-6506856-B2 | Preparing polymers based on monomers having a C-C double and/or C-C triple bond by polymerization of these monomers in the presence of catalyst system comprising as active constituents a compound of an early transition metal | BASF AKTIENGESELLSCHAFT (DE) | 2003-01-14 | — | — | US | disclosed |
| US-6271164-B1 | METALLOCENE CATALYST | LYONDELL CHEMICAL TECHNOLOGY, L.P. | 2001-08-07 | — | — | US | disclosed |
| US-6177526-B1 | METALLOCENE; COCATALYST; MODIFIED OXIDE CONTAINS ORGANIC SILICON RADICALS CONTAINING AT LEAST ONE OF THE GROUPS NITROGEN, FLUORINE, PHOSPHORUS OR SULFUR. | TARGOR GMBH (DE) | 2001-01-23 | — | — | US | disclosed |