⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27893677 | 0.67 | MTNR1A (0.33) | — | |
| SCHEMBL27904086 | 0.63 | — | — | |
| SCHEMBL2091255 | 0.63 | — | — | |
| SCHEMBL27862511 | 0.60 | SLC6A3 (0.35) | — | |
| SCHEMBL27966044 | 0.60 | USP2 (0.38) | — | |
| SCHEMBL764028 | 0.59 | — | — | |
| SCHEMBL2091257 | 0.59 | — | — | |
| SCHEMBL14480289 | 0.58 | — | — | |
| SCHEMBL28320606 | 0.58 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28300783 | 0.58 | TSHR (0.31) | — |
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-109923111-A | ANTIBIOTIC COMPOUNDS | 迪斯库瓦有限公司 | 2019-06-21 | — | — | CN | disclosed |