⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14812101 | 0.65 | — | — | |
| SCHEMBL16098891 | 0.64 | — | — | |
| SCHEMBL25187984 | 0.61 | — | — | |
| SCHEMBL16099080 | 0.57 | — | — | |
| SCHEMBL6864335 | 0.57 | — | — | |
| SCHEMBL11954073 | 0.57 | — | — | |
| SCHEMBL15880263 | 0.57 | — | — | |
| SCHEMBL2038089 | 0.56 | — | — | |
| SCHEMBL10050813 | 0.54 | — | — | |
| SCHEMBL9192956 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2670244-A2 | BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT | Duquesne University of The Holy Spirit (US) | 2013-12-11 | — | — | EP | disclosed |
| WO-2012106522-A2 | BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2012-08-09 | — | — | WO | disclosed |
| US-5621105-A | REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE | BAYER AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | disclosed |
| US-5574161-A | GRAMPOSITIVE BACTERICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-12 | — | — | US | disclosed |
| EP-0589318-B1 | Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives | BAYER AG (DE) | 1995-11-15 | — | — | EP | disclosed |
| US-5395944-A | Bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1995-03-07 | — | — | US | disclosed |
| EP-0589318-A2 | Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives | BAYER AG (DE) | 1994-03-30 | — | — | EP | disclosed |