⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17878151 | 0.84 | — | — | |
| SCHEMBL22818522 | 0.82 | — | — | |
| SCHEMBL21443781 | 0.77 | — | — | |
| SCHEMBL13485259 | 0.75 | — | — | |
| SCHEMBL14038561 | 0.75 | — | — | |
| SCHEMBL15047209 | 0.75 | — | — | |
| SCHEMBL789169 | 0.74 | — | — | |
| SCHEMBL790463 | 0.74 | — | — | |
| SCHEMBL15064155 | 0.74 | — | — | |
| SCHEMBL790491 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8778998-B2 | Biphenyl-3-carboxylic acid modulators of beta-3-adrenoreceptor | AUSPEX PHARMACEUTICALS, INC. (US) | 2014-07-15 | — | — | US | disclosed |
| EP-1646636-B1 | PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES | NOVARTIS AG (CH) | 2009-12-02 | — | — | EP | disclosed |