⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24926484 | 0.83 | — | — | |
| SCHEMBL9281605 | 0.75 | — | — | |
| SCHEMBL9288652 | 0.73 | — | — | |
| SCHEMBL13953975 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL21791674 | 0.67 | KDM4E (0.38) | — | |
| SCHEMBL5502155 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL20803841 | 0.65 | DPP4 (0.31) | — | |
| SCHEMBL8248054 | 0.64 | — | — | |
| SCHEMBL24429464 | 0.64 | GNAI3 (0.49) | — | |
| SCHEMBL24975560 | 0.63 | OPRL1 (0.35) | — |
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-20230031954-A1 | TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT | TETRAPHASE PHARMACEUTICALS, INC. | 2023-02-02 | — | — | US | disclosed |
| US-20170044160-A1 | TETRACYCLINE COMPOUNDS | TETRAPHASE PHARMACEUTICALS, INC. | 2017-02-16 | — | — | US | disclosed |