⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12101884 | 0.81 | — | — | |
| SCHEMBL11238127 | 0.78 | RIPK1 (0.34) | — | |
| SCHEMBL24298351 | 0.78 | RIPK1 (0.34) | — | |
| SCHEMBL10211245 | 0.78 | RIPK1 (0.34) | — | |
| SCHEMBL24298193 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL20076152 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL24324117 | 0.76 | — | — | |
| SCHEMBL14721342 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL24324619 | 0.74 | — | — | |
| SCHEMBL15188384 | 0.74 | THRB (0.42) | — |
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-4338346-A | Non-nutritive sweetener | THE PROCTER & GAMBLE COMPANY (US) | 1982-07-06 | — | — | US | disclosed |
| EP-0013044-A1 | L-aspartyl amide derivatives and their use as sweetening agents | THE PROCTER & GAMBLE COMPANY (US) | 1980-07-09 | — | — | EP | disclosed |