⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3170150 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1551990 | 0.94 | — | — | |
| SCHEMBL48647 | 0.81 | — | — | |
| SCHEMBL1537953 | 0.79 | — | — | |
| SCHEMBL11680699 | 0.77 | — | — | |
| Butanol SCHEMBL27620184 | 0.75 | TSHR (0.67) | — | |
| SCHEMBL5056950 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL3160658 | 0.74 | — | — | |
| SCHEMBL9540501 | 0.74 | — | — | |
| SCHEMBL5698964 | 0.73 | LMNA (0.38) | — |
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-4287363-A | BY CATALYTIC REACTION OF A BETA-AMINOPROPIONAMIDE | TEXACO INC. (US) | 1981-09-01 | — | — | US | disclosed |