⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13636130 | 0.79 | CA5A (0.31) | — | |
| SCHEMBL496879 | 0.74 | SHBG (0.31) | — | |
| SCHEMBL12204724 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL126232 | 0.72 | SHBG (0.30) | — | |
| SCHEMBL15255389 | 0.70 | GRM4 (0.31) | — | |
| SCHEMBL16903796 | 0.70 | — | — | |
| SCHEMBL22357180 | 0.70 | — | — | |
| SCHEMBL8386007 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL14390745 | 0.70 | — | — | |
| SCHEMBL18594488 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200407409-A1 | EGF(A) ANALOGUES WITH FATTY ACID SUBSTITUENTS | CHEN JIANHE (CN) | 2020-12-31 | — | — | US | disclosed |