⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6890162 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL5949214 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6548637 | 0.83 | — | — | |
| SCHEMBL7800583 | 0.74 | MEN1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL6548263 | 0.73 | — | — | |
| SCHEMBL7142364 | 0.72 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL5352162 | 0.72 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1240934 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL2136144 | 0.71 | HTR2A (0.38) | — | |
| SCHEMBL29758162 | 0.71 | HTR2A (0.38) | — |
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 |