⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL74788 | 0.95 | — | — | |
| Water SCHEMBL379637 | 0.90 | — | — | |
| Fluoride SCHEMBL28811646 | 0.90 | — | — | |
| SCHEMBL28522698 | 0.90 | — | — | |
| Formic Acid SCHEMBL31235515 | 0.82 | — | — | |
| SCHEMBL11494104 | 0.76 | — | — | |
| SCHEMBL17255905 | 0.73 | AKR1B1 (0.45) | — | |
| SCHEMBL27967099 | 0.70 | — | — | |
| SCHEMBL9045911 | 0.70 | — | — | |
| SCHEMBL3302057 | 0.70 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118613231-A | Orthodontic device for delivering active agents | 斯米利奥公司 | 2024-09-06 | — | — | CN | disclosed |
| CN-118450890-A | Treatment of cancer and autoimmune disorders using nano-polymers of histone deacetylase inhibitors | 弗吉尼亚大学专利基金委员会 | 2024-08-06 | — | — | CN | disclosed |
| US-20240246934-A1 | QUINAZOLINE-BASED COMPOUND, COMPOSITION, AND APPLICATION OF QUINAZOLINE-BASED COMPOUND | BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) | 2024-07-25 | — | — | US | disclosed |
| CN-115109036-B | Quinazoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-118139614-A | Sterile liposome-containing compositions and articles | 脂肪球有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-111527065-B | Synthetic derivatives of oleoyl-lysophosphatidylinositol (oleoyl-LPI) and uses thereof | 科廷大学 | 2024-05-07 | — | — | CN | disclosed |
| CN-110678543-B | In vitro culture system and method of use thereof | 耶达研究及发展有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-117280030-A | Agents, compositions and methods for treating hypoxia and ischemia related conditions | 梅兰德制药公司 | 2023-12-22 | — | — | CN | disclosed |
| EP-4293016-A1 | QUINAZOLINE-BASED COMPOUND, COMPOSITION, AND APPLICATION OF QUINAZOLINE-BASED COMPOUND | Beijing Scitech-MQ Pharmaceuticals Limited (CN) | 2023-12-20 | — | — | EP | disclosed |
| CN-110612097-B | Liposome drug delivery vehicle | 耶达研究及发展有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-112266386-A | 2-chloroadenine derivative, preparation method and application | 中山大学 | 2021-01-26 | — | — | CN | disclosed |
| EP-2488493-B1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | HOFFMANN LA ROCHE (CH) | 2015-04-15 | — | — | EP | disclosed |
| US-8440710-B2 | HSL inhibitors useful in the treatment of diabetes | HOFFMANN-LA ROCHE INC. (US) | 2013-05-14 | — | — | US | disclosed |
| EP-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |
| US-20110092512-A1 | NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | US | disclosed |
| EP-0828710-A1 | PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES | ZENECA LIMITED (GB) | 1998-03-18 | — | — | EP | disclosed |
| US-5670656-A | Process for preparing pyrrolidinones | ZENECA LIMITED (GB) | 1997-09-23 | — | — | US | disclosed |
| EP-0763020-A1 | SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES | ZENECA LIMITED (GB) | 1997-03-19 | — | — | EP | disclosed |
| WO-1996037466-A1 | PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES | ZENECA LIMITED (GB) | 1996-11-28 | — | — | WO | disclosed |