⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2338031 | 0.80 | — | — | |
| SCHEMBL30491972 | 0.78 | — | — | |
| SCHEMBL31061897 | 0.74 | — | — | |
| SCHEMBL5672376 | 0.73 | — | — | |
| SCHEMBL3904518 | 0.70 | — | — | |
| SCHEMBL4255620 | 0.66 | HTT (0.34) | — | |
| SCHEMBL30491916 | 0.65 | — | — | |
| SCHEMBL31745346 | 0.64 | — | — | |
| SCHEMBL5901136 | 0.61 | — | — | |
| SCHEMBL932027 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117384140-B | Benzimidazole derivative and application thereof | 沈阳药科大学 | 2024-10-11 | — | — | CN | disclosed |
| CN-117384140-A | Benzimidazole derivative and application thereof | 沈阳药科大学 | 2024-01-12 | — | — | CN | disclosed |
| CN-116635378-A | Bicyclic 1, 4-diazacycloheptanones and therapeutic uses thereof | 赛特凯恩蒂克公司 | 2023-08-22 | — | — | CN | disclosed |
| US-20190142810-A1 | MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS | BASILEA PHARM INT AG (CH) | 2019-05-16 | — | — | US | disclosed |
| CN-109661392-A | For treating the mitochondrial inhibitors of proliferative disorder | 巴斯利尔药物国际股份公司 | 2019-04-19 | — | — | CN | disclosed |
| EP-2170350-A2 | SUBSTITUTED IMIDAZOHETEROCYCLES | Cara Therapeutics, Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2008157751-A2 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |