⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1225985 | 0.75 | GDA (0.36) | — | |
| SCHEMBL2852189 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL12894751 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL22500804 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL27244201 | 0.71 | PGK1 (0.33) | — | |
| SCHEMBL30881469 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL12894746 | 0.69 | NPC1 (0.50) | — | |
| SCHEMBL4183698 | 0.69 | KDM4E (0.41) | — | |
| SCHEMBL27243746 | 0.69 | MAT2A (0.33) | — | |
| Flucytosine SCHEMBL3874866 | 0.69 | TP53 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090082561-A1 | Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids | THE PENNSYLVANIA STATE RESEARCH FOUNDATION | 2009-03-26 | — | — | US | disclosed |
| US-7405304-B2 | Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids | THE PENN STATE RESEARCH FOUNDATION (US) | 2008-07-29 | — | — | US | disclosed |
| US-20050080048-A1 | Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids | PENN STATE RESEARCH FOUNDATION, THE | 2005-04-14 | — | — | US | disclosed |
| EP-1463739-A2 | METHODS FOR THE PREPARATION OF ALKYL DIARYL BORINATES AND COMPLEXED DIARYLBORINIC ACIDS | THE PENNSYLVANIA STATE RESEARCH FOUNDATION (US) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003059916-A2 | METHODS FOR THE PREPARATION OF ALKYL DIARYL BORINATES AND COMPLEXED DIARYLBORINIC ACIDS | THE PENNSYLVANIA STATE RESEARCH FOUNDATION (US) | 2003-07-24 | — | — | WO | disclosed |