⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL59407 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL4834073 | 0.75 | — | — | |
| SCHEMBL27661739 | 0.73 | — | — | |
| SCHEMBL10458961 | 0.73 | — | — | |
| SCHEMBL3834024 | 0.73 | — | — | |
| SCHEMBL7831521 | 0.73 | — | — | |
| SCHEMBL151965 | 0.73 | — | — | |
| SCHEMBL60363 | 0.71 | — | — | |
| Ethylene Glycol SCHEMBL4854205 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL24720912 | 0.69 | ALDH1A1 (0.50) | — |
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-4154933-A | Process for the preparation of quinolines | STAMICARBON, B.V. (NL) | 1979-05-15 | — | — | US | disclosed |
| US-4028362-A | VAPORIZATION OF 2-(BETA-CYANOETHYL)-CYCLOHEXANONES, DEHYDROGENATION CATALYST | STAMICARBON B. V. (NL) | 1977-06-07 | — | — | US | disclosed |