⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL311876 | 0.83 | ALDH1A1 (0.53) | — | |
| SCHEMBL5171320 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL2706963 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL10458715 | 0.77 | ALOX15 (0.46) | — | |
| SCHEMBL713608 | 0.76 | — | — | |
| SCHEMBL197897 | 0.76 | — | — | |
| SCHEMBL12814201 | 0.76 | — | — | |
| SCHEMBL6572365 | 0.76 | — | — | |
| SCHEMBL28858041 | 0.76 | KDM4E (0.39) | — | |
| SCHEMBL28353125 | 0.75 | LMNA (0.45) | — |
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-10392422-B2 | Macrocyclic broad spectrum antibiotics | RQX PHARMACEUTICALS, INC. (US) | 2019-08-27 | — | — | US | disclosed |
| US-10351595-B2 | — | — | 2019-07-16 | — | — | US | disclosed |
| US-20170088582-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC. (US) | 2017-03-30 | — | — | US | disclosed |
| US-4957912-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1990-09-18 | — | — | US | disclosed |
| US-4226866-A | BACTERICIDES, ACYLATION | MERCK & CO., INC. (US) | 1980-10-07 | — | — | US | disclosed |