⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL27387069 | 0.94 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL27945477 | 0.94 | — | — | |
| Formic Acid SCHEMBL28284007 | 0.94 | — | — | |
| Formic Acid SCHEMBL13965548 | 0.94 | — | — | |
| Formic Acid SCHEMBL28391992 | 0.94 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL1010784 | 0.94 | — | — | |
| Formic Acid SCHEMBL28257091 | 0.94 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL104894 | 0.94 | — | — | |
| Formic Acid SCHEMBL20854301 | 0.88 | — | — | |
| Formic Acid SCHEMBL27456931 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104169284-B | Bicyclic pyrazinone derivatives | 默克专利股份公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-104507912-B | (azepine-) isoquinolinone derivatives | 默克专利股份公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-104478821-B | Oxadiazole diaryl compounds | 默克雪兰诺有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-104093722-B | Furo [3,2-b]-and thieno [3,2-b] pyridine derivate as TBK1 and IKK inhibitor | 默克专利股份公司 | 2016-07-27 | — | — | CN | disclosed |