⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17849879 | 0.81 | — | — | |
| SCHEMBL12108701 | 0.71 | — | — | |
| SCHEMBL21254080 | 0.68 | CDK2 (0.31) | — | |
| SCHEMBL17849898 | 0.67 | KDM4E (0.39) | — | |
| SCHEMBL17849890 | 0.64 | — | — | |
| SCHEMBL24272770 | 0.63 | SLC18A2 (0.31) | — | |
| SCHEMBL14111165 | 0.63 | SLC6A2 (0.41) | — | |
| SCHEMBL18781500 | 0.63 | SLC6A2 (0.41) | — | |
| SCHEMBL14011480 | 0.62 | OXTR (0.32) | — | |
| SCHEMBL25982047 | 0.61 | SLC18A2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170107179-A1 | Polycyclic Tetracycline Compounds | TETRAPHASE PHARMACEUTICALS, INC. | 2017-04-20 | — | — | US | disclosed |
| US-9371283-B2 | Polycyclic tetracycline compounds | TETRAPHASE PHARMACEUTICALS, INC. (US) | 2016-06-21 | — | — | US | disclosed |