⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6563921 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL8779548 | 0.69 | — | — | |
| SCHEMBL8779496 | 0.68 | CYP11B1 (0.30) | — | |
| SCHEMBL8370740 | 0.67 | — | — | |
| SCHEMBL7946679 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7778989 | 0.67 | — | — | |
| Iodide SCHEMBL27182228 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL27182304 | 0.67 | — | — | |
| Bromide SCHEMBL27182242 | 0.67 | — | — | |
| SCHEMBL28112107 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109952324-B | Blocked multi-or double-headed compositions suitable for chain shuttling and methods of making the same | 陶氏环球技术有限责任公司 | 2023-06-09 | — | — | CN | disclosed |