⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL717410 | 0.85 | HRH4 (0.35) | — | |
| SCHEMBL30613663 | 0.85 | — | — | |
| SCHEMBL8232360 | 0.85 | HRH4 (0.35) | — | |
| SCHEMBL4291776 | 0.85 | — | — | |
| SCHEMBL937953 | 0.85 | HRH4 (0.35) | — | |
| SCHEMBL16878053 | 0.85 | — | — | |
| SCHEMBL13161914 | 0.85 | — | — | |
| SCHEMBL10264143 | 0.85 | — | — | |
| SCHEMBL20748213 | 0.85 | — | — | |
| SCHEMBL5946959 | 0.85 | HRH4 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160326157-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-11-10 | — | — | US | disclosed |
| WO-2015103583-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-07-09 | — | — | WO | disclosed |
| WO-2014177038-A1 | AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2014-11-06 | — | — | WO | disclosed |