⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2147382 | 0.72 | CA2 (0.35) | — | |
| SCHEMBL14636311 | 0.72 | SLC1A3 (0.32) | — | |
| SCHEMBL10373135 | 0.72 | SLC1A3 (0.34) | — | |
| SCHEMBL21609753 | 0.71 | SLC1A3 (0.31) | — | |
| SCHEMBL2231192 | 0.70 | TDP1 (0.37) | — | |
| SCHEMBL7636697 | 0.70 | SLC1A3 (0.33) | — | |
| SCHEMBL28654671 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL3367991 | 0.69 | OR51E2 (0.31) | — | |
| SCHEMBL7279279 | 0.68 | CYP2C19 (0.43) | — | |
| SCHEMBL10698846 | 0.68 | SLC1A3 (0.52) | — |
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-1185537-B1 | BENZYLIDENECYANOACETATES AND A METHOD FOR MAKING BENZYLIDENECYANOACETATES | LORD CORP (US) | 2003-10-01 | — | — | EP | disclosed |
| US-6180813-B1 | COMPOUNDS WHICH ARE LIQUID AT ROOM TEMPERATURE, HAVE LOW VOLATILITY AND ARE ODOR FREE; USEFUL IN FORMULATING ADHESIVES AND COATINGS | LORD CORPORATION | 2001-01-30 | — | — | US | disclosed |