⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5948367 | 0.97 | — | — | |
| Acetonitrile SCHEMBL28350047 | 0.87 | KEAP1 (0.31) | — | |
| SCHEMBL7711150 | 0.86 | KEAP1 (0.33) | — | |
| SCHEMBL1698996 | 0.79 | — | — | |
| SCHEMBL21750382 | 0.78 | HCAR2 (0.40) | — | |
| SCHEMBL6416034 | 0.78 | HCAR2 (0.40) | — | |
| Formic Acid Methyl Ester SCHEMBL808429 | 0.78 | HCAR2 (0.40) | — | |
| SCHEMBL7628702 | 0.76 | — | — | |
| SCHEMBL63036 | 0.75 | — | — | |
| SCHEMBL10772047 | 0.75 | — | — |
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 476 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118255701-A | Disulfide-based dihydroxyoxime acid compound as well as preparation method and application thereof | 中南大学 | 2024-06-28 | — | — | CN | claimed |
| CN-114832013-B | Antibacterial substance and antibacterial gel for nourishing and repairing genital tract | 朵博士健康科技(杭州)有限公司 | 2024-01-19 | — | — | CN | claimed |
| CN-114835684-A | 4-aminoquinazoline compound containing morpholinyl aromatic heterocycle and hydroximic acid structure and preparation method thereof | 江苏食品药品职业技术学院 | 2022-08-02 | — | — | CN | claimed |
| US-11162117-B2 | Whole-cell catalytic system and applications thereof | NATIONAL TAIWAN UNIVERSITY (TW) | 2021-11-02 | — | — | US | claimed |
| CN-111592481-B | Preparation method of polysubstituted pyrroline compound | 江南大学 | 2021-06-25 | — | — | CN | claimed |
| CN-110746253-B | Synthesis method of beta, beta-disubstituted propionate derivative | 南京工业大学 | 2021-02-05 | — | — | CN | claimed |
| CN-109776587-B | Glutamine boron trifluoride analogue with prolonged carbon chain | 北京大学 | 2020-12-18 | — | — | CN | claimed |
| CN-112047905-A | Method for synthesizing 1, 5-diketone compound by air oxidation of dienone | 浙江工业大学 | 2020-12-08 | — | — | CN | claimed |
| CN-108727287-B | 1,2, 4-triazole compound and salt and application thereof | 东南大学 | 2020-10-27 | — | — | CN | claimed |
| CN-110746253-A | Synthesis method of β -disubstituted propionate derivative | 南京工业大学 | 2020-02-04 | — | — | CN | claimed |
| CN-103998438-A | Process for the manufacture of compounds comprising nitrile functions | RHODIA OPERATIONS | 2014-08-20 | — | — | CN | claimed |
| EP-2629091-A1 | SEPARATING AGENT FOR CHROMATOGRAPHY | Daicel Corporation (JP) | 2013-08-21 | — | — | EP | claimed |
| US-20130204014-A1 | SEPARATING AGENT FOR CHROMATOGRAPHY | DAICEL CORPORATION (JP) | 2013-08-08 | — | — | US | claimed |
| CN-102239131-A | Process for preparing 1, 6-hexanediol | BASF SE | 2011-11-09 | — | — | CN | claimed |
| EP-1919449-A2 | ANTIBIOTIC KIT AND COMPOSITION AND USES THEREOF | Foamix Ltd. (IL) | 2008-05-14 | — | — | EP | claimed |
| WO-2007099396-A2 | ANTIBIOTIC KIT AND COMPOSITION AND USES THEREOF | FOAMIX LTD. (US) | 2007-09-07 | — | — | WO | claimed |
| CN-1590376-A | Now preparation method of alipazole | LUO JUNZHI (CN) | 2005-03-09 | — | — | CN | claimed |
| CN-1089742-C | Process for preparing 1,6-hexane diol and caprolacton | BASF AG (DE) | 2002-08-28 | — | — | CN | claimed |
| US-6150490-A | DEGRADATION OF POLYESTERS WITH MICROORGANISMS | DEGUSSA-HUELS AG (DE) | 2000-11-21 | — | — | US | claimed |
| CN-1211969-A | Process for preparing 1,6-hexane diol and caprolacton | BASF AG (DE) | 1999-03-24 | — | — | CN | claimed |