⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18685394 | 0.68 | SLC6A4 (0.34) | — | |
| SCHEMBL20320096 | 0.68 | SLC6A4 (0.34) | — | |
| SCHEMBL18313067 | 0.67 | — | — | |
| SCHEMBL10734823 | 0.67 | SLC6A4 (0.33) | — | |
| SCHEMBL12457636 | 0.65 | SLC6A2 (0.32) | — | |
| SCHEMBL12457850 | 0.65 | SLC6A2 (0.32) | — | |
| SCHEMBL22991873 | 0.64 | — | — | |
| SCHEMBL6855085 | 0.64 | — | — | |
| SCHEMBL14319749 | 0.64 | — | — | |
| SCHEMBL17972983 | 0.64 | — | — |
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-20160222015-A1 | TRICYCLIC GYRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-08-04 | — | — | US | disclosed |
| US-20160222015-A1 | TRICYCLIC GYRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-08-04 | — | — | US | disclosed |