⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3217467 | 0.96 | TSHR (0.31) | — | |
| SCHEMBL841608 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL841648 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL26380194 | 0.83 | — | — | |
| SCHEMBL4782094 | 0.82 | LCK (0.34) | — | |
| SCHEMBL8949497 | 0.82 | MAPT (0.36) | — | |
| SCHEMBL20208297 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL841265 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL841870 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL25018206 | 0.80 | CA12 (0.34) | — |
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-11660350-B2 | Antibacterial products | UNIVERSITY OF LINCOLN (GB) | 2023-05-30 | — | — | US | disclosed |
| US-20180147290-A1 | NEW ANTIBACTERIAL PRODUCTS | UNIVERSITY OF LINCOLN (GB) | 2018-05-31 | — | — | US | disclosed |