⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121542 | 0.75 | — | — | |
| SCHEMBL5512165 | 0.71 | — | — | |
| SCHEMBL774689 | 0.67 | — | — | |
| SCHEMBL4454371 | 0.65 | — | — | |
| SCHEMBL4390863 | 0.65 | — | — | |
| SCHEMBL452524 | 0.62 | — | — | |
| SCHEMBL14459294 | 0.61 | — | — | |
| SCHEMBL12519302 | 0.61 | — | — | |
| SCHEMBL906641 | 0.60 | — | — | |
| SCHEMBL11491375 | 0.59 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9381172-B2 | Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2016-07-05 | — | — | US | disclosed |
| US-20130012557-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2013-01-10 | — | — | US | disclosed |
| US-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20110212994-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders | CLEM BRIAN | 2011-09-01 | — | — | US | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | US | disclosed |
| EP-1742906-A2 | NON-LINEAR OPTICALLY ACTIVE MOLECULES, THEIR SYNTHESIS, AND USE | Optimer Photonics, Inc. (US) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005119315-A2 | NON-LINEAR OPTICALLY ACTIVE MOLECULES, THEIR SYNTHESIS, AND USE | OPTIMER PHOTONICS, INC. (US) | 2005-12-15 | — | — | WO | disclosed |
| US-6465395-B2 | DIHYDROBENZOTHIOPHENE-SUBSTITUTED METHYLENE; CONTROL OF A BROAD SPECTRUM OF UNDESIRABLE PLANT SPECIES. | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-15 | — | — | US | disclosed |
| US-6465395-B2 | DIHYDROBENZOTHIOPHENE-SUBSTITUTED METHYLENE; CONTROL OF A BROAD SPECTRUM OF UNDESIRABLE PLANT SPECIES. | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-15 | — | — | US | disclosed |
| US-20020016261-A1 | Substituted methylene pyrazolinones and the herbicidal use thereof | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-07 | — | — | US | disclosed |
| US-20020016261-A1 | Substituted methylene pyrazolinones and the herbicidal use thereof | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-07 | — | — | US | disclosed |