⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27723087 | 0.80 | — | — | |
| SCHEMBL3904738 | 0.76 | — | — | |
| SCHEMBL28133002 | 0.76 | — | — | |
| SCHEMBL83812 | 0.75 | CES2 (0.50) | — | |
| SCHEMBL12923162 | 0.74 | — | — | |
| SCHEMBL28401749 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL13072351 | 0.72 | — | — | |
| SCHEMBL7618885 | 0.72 | — | — | |
| SCHEMBL7618880 | 0.72 | — | — | |
| SCHEMBL11859196 | 0.70 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1357193-A1 | Preparation of pyrazines | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 2003-10-29 | — | — | EP | disclosed |
| WO-2000023608-A1 | PREPARATION OF AMINO ALCOHOLS | DSM BIOTECH GMBH (DE) | 2000-04-27 | — | — | WO | disclosed |