⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18198947 | 0.71 | TP53 (0.31) | — | |
| SCHEMBL10901784 | 0.69 | — | — | |
| SCHEMBL12531714 | 0.67 | — | — | |
| SCHEMBL10897374 | 0.64 | TP53 (0.41) | — | |
| SCHEMBL10862329 | 0.64 | KDM4C (0.34) | — | |
| SCHEMBL441607 | 0.63 | — | — | |
| SCHEMBL4753680 | 0.63 | — | — | |
| SCHEMBL11046634 | 0.63 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL592856 | 0.62 | — | — | |
| SCHEMBL18198957 | 0.61 | TYR (0.30) | — |
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-4616016-A | MIXTURE OF QUINALDINES, QUINOLINES, CYCLOHEXENE AMINOREDUCTONES | BASF AKTIENGESELLSCHAFT (DE) | 1986-10-07 | — | — | US | claimed |
| EP-0124752-B1 | MIXTURES OF SUBSTANCES WITH GROWTH AND OUTPUT ACCELERATING EFFECT AS WELL AS FEED AND WATERING LIQUIDS WHICH CONTAIN LOW AMOUNTS OF THESE MIXTURES | BASF Aktiengesellschaft (DE) | 1986-07-16 | — | — | EP | claimed |