⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29023882 | 0.97 | — | — | |
| SCHEMBL29742575 | 0.94 | CHRM2 (0.37) | — | |
| SCHEMBL573582 | 0.94 | CHRM2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL25245581 | 0.90 | CHRM2 (0.36) | — | |
| SCHEMBL28436926 | 0.90 | TTR (0.40) | — | |
| SCHEMBL18885585 | 0.85 | CHRM2 (0.33) | — | |
| SCHEMBL7274558 | 0.83 | — | — | |
| SCHEMBL16878535 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL16878223 | 0.82 | CHRM2 (0.32) | — | |
| SCHEMBL16878203 | 0.80 | TTR (0.32) | — |
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-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 |