⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27690795 | 0.75 | CRBN (0.44) | — | |
| SCHEMBL10943768 | 0.74 | CRBN (0.50) | — | |
| SCHEMBL269755 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1671179 | 0.72 | — | — | |
| SCHEMBL12394131 | 0.70 | — | — | |
| SCHEMBL17948964 | 0.69 | — | — | |
| SCHEMBL10178424 | 0.67 | — | — | |
| SCHEMBL17849896 | 0.63 | TOP2A (0.51) | — | |
| SCHEMBL13500416 | 0.63 | — | — | |
| SCHEMBL17849877 | 0.62 | CRBN (0.44) | — |
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 |