⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14413873 | 0.86 | ROCK2 (0.33) | — | |
| SCHEMBL3506624 | 0.85 | NCF1 (0.37) | — | |
| SCHEMBL21958687 | 0.81 | — | — | |
| SCHEMBL14311987 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL14311821 | 0.77 | DRD4 (0.34) | — | |
| SCHEMBL22996642 | 0.76 | SLC6A2 (0.36) | — | |
| SCHEMBL89531 | 0.76 | DRD4 (0.33) | — | |
| SCHEMBL22996645 | 0.76 | SLC6A2 (0.36) | — | |
| SCHEMBL22996646 | 0.74 | DRD4 (0.32) | — | |
| SCHEMBL25583812 | 0.74 | DRD4 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150246934-A1 | TRICYCLIC GYRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2015-09-03 | — | — | US | disclosed |
| US-7202246-B2 | Spiro-rifamycin derivatives targeting RNA polymerase | CUMBRE PHARMACEUTICALS INC. (US) | 2007-04-10 | — | — | US | disclosed |
| US-20050277633-A1 | E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria | CUMBRE INC. (US) | 2005-12-15 | — | — | US | disclosed |