⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2619499 | 1.00 | — | — | |
| SCHEMBL8224564 | 0.78 | CES2 (0.30) | — | |
| SCHEMBL2611675 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL12044505 | 0.77 | GRIK1 (0.38) | — | |
| SCHEMBL4063669 | 0.77 | GRIK1 (0.38) | — | |
| SCHEMBL17111419 | 0.77 | PPARG (0.39) | — | |
| SCHEMBL17111420 | 0.77 | PPARG (0.39) | — | |
| SCHEMBL11918302 | 0.75 | — | — | |
| SCHEMBL14436748 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL10308363 | 0.75 | — | — |
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-5355718-A | Aroma emission analysis system | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1994-10-18 | — | — | US | disclosed |
| US-4026947-A | CHELATE CATALYSTS OF COBALT OR MANGANESE | RHONE-POULENC INDUSTRIES (FR) | 1977-05-31 | — | — | US | disclosed |