⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24014657 | 0.77 | — | — | |
| SCHEMBL20004994 | 0.76 | — | — | |
| SCHEMBL23889752 | 0.75 | — | — | |
| SCHEMBL25464814 | 0.71 | — | — | |
| SCHEMBL4133894 | 0.71 | — | — | |
| SCHEMBL23519698 | 0.71 | — | — | |
| SCHEMBL16844342 | 0.70 | — | — | |
| SCHEMBL24762741 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6263702 | 0.69 | — | — | |
| SCHEMBL5019045 | 0.69 | ALDH1A1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10723742-B2 | Biphenyl compound or salt thereof | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2020-07-28 | — | — | US | disclosed |