⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1582226 | 0.72 | ANPEP (0.41) | — | |
| SCHEMBL10942095 | 0.72 | ANPEP (0.41) | — | |
| SCHEMBL5952764 | 0.67 | — | — | |
| SCHEMBL8967149 | 0.67 | ANPEP (0.47) | — | |
| SCHEMBL25847646 | 0.65 | — | — | |
| Hexane SCHEMBL31419020 | 0.65 | TSHR (0.44) | — | |
| SCHEMBL24835118 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL8966224 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL4301867 | 0.64 | — | — | |
| SCHEMBL6054994 | 0.64 | — | — |
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-4339351-A | REACTION PRODUCT OF GRIGNARD REAGENT AND BORON COMPOUND AS CATALYST SUPPORT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-07-13 | — | — | US | claimed |
| US-4339351-A | REACTION PRODUCT OF GRIGNARD REAGENT AND BORON COMPOUND AS CATALYST SUPPORT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-07-13 | — | — | US | disclosed |