⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1583096 | 0.71 | — | — | |
| SCHEMBL8388286 | 0.69 | — | — | |
| SCHEMBL4445827 | 0.67 | — | — | |
| SCHEMBL10671230 | 0.67 | — | — | |
| SCHEMBL23140348 | 0.65 | — | — | |
| SCHEMBL4453800 | 0.65 | — | — | |
| SCHEMBL15367794 | 0.63 | — | — | |
| SCHEMBL11434687 | 0.63 | SAT1 (0.30) | — | |
| SCHEMBL27738880 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL11430196 | 0.61 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107879974-B | A kind of preparation method of multifunctional dough alkenyl quinoline | 温州大学 | 2019-09-03 | — | — | CN | disclosed |
| CN-107879974-A | A kind of preparation method of multifunctional dough alkenyl quinoline | 温州大学 | 2018-04-06 | — | — | CN | disclosed |
| US-20110028337-A1 | NUCLEOBASE CHARACTERISATION | NUCLEOBASE CHARACTERISATION | 2011-02-03 | — | — | US | disclosed |
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| CN-1184423-A | Nodulisporic acid derivatives | MERCK & CO INC (US) | 1998-06-10 | — | — | CN | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |