⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29013722 | 1.00 | — | — | |
| SCHEMBL27873967 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL29013733 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL27873970 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL28444026 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL8152219 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL16487310 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL16487179 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL16487311 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL16487403 | 0.74 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| 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 |