⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3373144 | 0.90 | ADH1A (0.48) | — | |
| SCHEMBL3376550 | 0.88 | DRD3 (0.50) | — | |
| SCHEMBL8916450 | 0.87 | ADH1A (0.50) | — | |
| SCHEMBL3373689 | 0.84 | ADH1C (0.41) | — | |
| SCHEMBL23377075 | 0.84 | SLC6A4 (0.49) | — | |
| SCHEMBL18652287 | 0.84 | PIK3CD (0.39) | — | |
| SCHEMBL15746843 | 0.82 | ADH1C (0.48) | — | |
| SCHEMBL835196 | 0.82 | — | — | |
| SCHEMBL9862148 | 0.82 | ADH1C (0.33) | — | |
| SCHEMBL24700245 | 0.82 | DRD3 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427425-B1 | TETRACYCLINE COMPOUNDS | TETRAPHASE PHARMACEUTICALS INC (US) | 2017-03-08 | — | — | EP | disclosed |
| US-20170044160-A1 | TETRACYCLINE COMPOUNDS | TETRAPHASE PHARMACEUTICALS, INC. | 2017-02-16 | — | — | US | disclosed |
| US-9315451-B2 | Tetracycline compounds | TETRAPHASE PHARMACEUTICALS, INC. (US) | 2016-04-19 | — | — | US | disclosed |
| US-20120135968-A1 | Tetracycline Compounds | TETRAPHASE PHARMACEUTICALS, INC. | 2012-05-31 | — | — | US | disclosed |
| US-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |