⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19962812 | 1.00 | — | — | |
| SCHEMBL24333197 | 0.79 | TGFBR1 (0.50) | — | |
| SCHEMBL2487819 | 0.79 | TGFBR1 (0.50) | — | |
| SCHEMBL14951 | 0.79 | — | — | |
| SCHEMBL50197 | 0.77 | — | — | |
| SCHEMBL27785343 | 0.77 | — | — | |
| SCHEMBL15263906 | 0.76 | TGFBR1 (0.53) | — | |
| SCHEMBL717760 | 0.75 | — | — | |
| Isopropyl Alcohol SCHEMBL2342152 | 0.75 | TGFBR1 (0.47) | — | |
| SCHEMBL10543946 | 0.75 | TGFBR1 (0.47) | — |
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-20230138968-A1 | CONTACT LENS WITH OPTICAL PROPHYLAXIS | HIGH PERFORMANCE OPTICS, INC. (US) | 2023-05-04 | — | — | US | disclosed |
| US-10544106-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2020-01-28 | — | — | US | disclosed |