⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23925773 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL28977809 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL28977786 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL23925882 | 0.83 | LMNA (0.33) | — | |
| SCHEMBL23925901 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL28977787 | 0.77 | LMNA (0.34) | — | |
| SCHEMBL28977783 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL28977796 | 0.72 | — | — | |
| SCHEMBL28977795 | 0.69 | — | — | |
| SCHEMBL28977810 | 0.67 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551829-A | Odorants and compositions comprising odorants | 丝趣科尔卡有限公司 | 2022-12-30 | — | — | CN | claimed |
| CN-115551829-A | Odorants and compositions comprising odorants | 丝趣科尔卡有限公司 | 2022-12-30 | — | — | CN | disclosed |