⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29075804 | 0.88 | ALDH1A1 (0.54) | — | |
| SCHEMBL29075983 | 0.88 | ALDH1A1 (0.46) | — | |
| SCHEMBL28703365 | 0.83 | — | — | |
| SCHEMBL11584636 | 0.79 | — | — | |
| SCHEMBL29075948 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL10726585 | 0.76 | ALDH1A1 (0.54) | — | |
| SCHEMBL13873045 | 0.75 | ALDH1A1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL10726402 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL4790582 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL10811418 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | claimed |
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | disclosed |
| US-6825187-B2 | CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS | MEIJI SEIKA KAISHA, LTD. (JP) | 2004-11-30 | — | — | US | disclosed |
| US-20030022881-A1 | Novel carbapenem derivatives of quarternary salt type | MEIJI SEIKA KAISHA, LTD. (JP) | 2003-01-30 | — | — | US | disclosed |
| EP-1251134-A1 | NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE | MEIJI SEIKA KAISHA LTD. (JP) | 2002-10-23 | — | — | EP | disclosed |