⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19194215 | 0.81 | — | — | |
| SCHEMBL90103 | 0.70 | — | — | |
| SCHEMBL10197377 | 0.67 | CACNA1F (0.30) | — | |
| SCHEMBL12798111 | 0.67 | SLC6A4 (0.39) | — | |
| SCHEMBL31679237 | 0.67 | CACNA1F (0.30) | — | |
| SCHEMBL24700037 | 0.67 | CACNA1F (0.30) | — | |
| SCHEMBL10245063 | 0.67 | SLC6A4 (0.39) | — | |
| SCHEMBL10716584 | 0.67 | — | — | |
| SCHEMBL11930070 | 0.67 | CACNA1F (0.30) | — | |
| SCHEMBL10197378 | 0.67 | CACNA1F (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190284192-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) | 2019-09-19 | — | — | US | disclosed |
| US-20140256694-A1 | STEROID ANTIBIOTIC CONJUGATES | ALLERGAN, INC. (US) | 2014-09-11 | — | — | US | disclosed |
| US-20140256660-A1 | ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS | ALLERGAN, INC. (US) | 2014-09-11 | — | — | US | disclosed |
| US-20140256666-A1 | ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS | ALLERGAN, INC. (US) | 2014-09-11 | — | — | US | disclosed |
| US-20140256696-A1 | Steroid conjugates | ALLERGAN, INC. (US) | 2014-09-11 | — | — | US | disclosed |
| US-20140256658-A1 | Antibiotic Conjugates | ALLERGAN, INC. (US) | 2014-09-11 | — | — | US | disclosed |
| US-20140256651-A1 | Cyclosporine A steroid conjugates | ALLERGAN, INC. (US) | 2014-09-11 | — | — | US | disclosed |