⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3151557 | 0.80 | — | — | |
| SCHEMBL20005110 | 0.71 | — | — | |
| SCHEMBL14539412 | 0.69 | — | — | |
| SCHEMBL20272578 | 0.65 | — | — | |
| SCHEMBL8027807 | 0.65 | — | — | |
| SCHEMBL10013268 | 0.65 | — | — | |
| SCHEMBL14354886 | 0.65 | — | — | |
| SCHEMBL8271621 | 0.65 | — | — | |
| SCHEMBL8670863 | 0.65 | — | — | |
| SCHEMBL18978537 | 0.64 | GABRR1 (0.34) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017164260-A1 | BENZOXAZINE COMPOUND, METHOD FOR PRODUCING SAME, AND BENZOXAZINE RESIN | 学校法人近畿大学 | 2017-09-28 | — | — | WO | disclosed |
| EP-1784387-B1 | PHENOL COMPOUND, REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM, REVERSIBLE THERMOSENSITIVE RECORDING LABEL, REVERSIBLE THERMOSENSITIVE RECORDING MEMBER, AND IMAGE-PROCESSING METHOD | RICOH CO LTD (JP) | 2013-11-06 | — | — | EP | disclosed |
| US-20130224795-A1 | IMMOBILIZATION METHOD OF BIOACTIVE MOLECULES USING POLYPHENOL OXIDASE | AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) | 2013-08-29 | — | — | US | disclosed |
| US-20130197049-A1 | COMPOUNDS FOR TREATMENT OF CANCER | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2013-08-01 | — | — | US | disclosed |
| WO-2013081549-A1 | METHOD FOR PREPARING 2H-AZIRINE CARBOXYLIC ESTERS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2013-06-06 | — | — | WO | disclosed |
| US-20100311980-A1 | Process for the Preparation of a RAF Kinase Inhibitor and Intermediates for Use in the Process | CIPLA LIMITED (IN) | 2010-12-09 | — | — | US | disclosed |
| EP-1984331-B1 | PYRROLIDINE DERIVATIVES AS ERK INHIBITORS | SCHERING CORP (US) | 2010-10-20 | — | — | EP | disclosed |