⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23992 | 0.96 | — | — | |
| SCHEMBL11485188 | 0.96 | TSHR (0.33) | — | |
| SCHEMBL2686745 | 0.96 | — | — | |
| SCHEMBL2713018 | 0.96 | — | — | |
| SCHEMBL30487170 | 0.96 | — | — | |
| Isobutane SCHEMBL3410753 | 0.92 | TSHR (0.31) | — | |
| Iodide SCHEMBL31325854 | 0.92 | — | — | |
| Methane SCHEMBL11669299 | 0.92 | — | — | |
| Water SCHEMBL29494590 | 0.92 | — | — | |
| SCHEMBL917059 | 0.92 | — | — |
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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114561258-A | Ethylene unit alkaline washing tower detergent | 浙江杭化科技股份有限公司 | 2022-05-31 | — | — | CN | claimed |
| CN-112745241-A | Compound for detecting normal hexane or cyclohexane and preparation method thereof | 中北大学 | 2021-05-04 | — | — | CN | claimed |
| CN-115135707-A | Flame-retardant material | 博里利斯股份公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-114561258-A | Ethylene unit alkaline washing tower detergent | 浙江杭化科技股份有限公司 | 2022-05-31 | — | — | CN | disclosed |
| CN-111808058-B | Fluorescent probe for screening drugs acting on ryanodine receptor | 天津大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-112745241-A | Compound for detecting normal hexane or cyclohexane and preparation method thereof | 中北大学 | 2021-05-04 | — | — | CN | disclosed |
| WO-2021057256-A1 | HETEROCYCLIC NITROGEN COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-04-01 | — | — | WO | disclosed |
| CN-111808058-A | Fluorescent probe for screening drugs acting on ryanodine receptor | 天津大学 | 2020-10-23 | — | — | CN | disclosed |
| US-9039946-B2 | Reversibly thermochromic compositions | BASF SE (DE) | 2015-05-26 | — | — | US | disclosed |
| US-8207333-B2 | Hydrolysing an ester of rosuvastatin with a base in the presence of an aprotic solvent, converting the salt with a source of calcium, isolating the amorphous rosuvastatin calcium; impurity free; hyperlipidemia, hypercholesterolemia atherosclerosis. | LEK PHARMACEUTICALS D. D. (SI) | 2012-06-26 | — | — | US | disclosed |
| CN-101189318-B | Reversibly thermochromic compositions | CIBA SC HOLDING AG | 2012-06-20 | — | — | CN | disclosed |
| US-5087700-A | Method of producing primary amines in high yields | ALDRICH CHEMICAL COMPANY, INC. (US) | 1992-02-11 | — | — | US | disclosed |
| US-4918229-A | Method of producing primary amines in high yields and novel intermediates therefor | ALDRICH CHEMICAL COMPANY, INC. (US) | 1990-04-17 | — | — | US | disclosed |
| EP-0155096-B1 | 17 BETA-SUBSTITUTED-4-AZA-5-ALPHA-ANDROSTENONES AND THEIR USE AS 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1989-10-04 | — | — | EP | disclosed |
| EP-0285383-A2 | Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones | MERCK & CO. INC. (US) | 1988-10-05 | — | — | EP | disclosed |
| EP-0285382-A2 | Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones | MERCK & CO. INC. (US) | 1988-10-05 | — | — | EP | disclosed |
| US-4760071-A | Enzyme inhibitor | MERCK & CO., INC. (US) | 1988-07-26 | — | — | US | disclosed |
| EP-0155096-A2 | 17 Beta-Substituted-4-aza-5-alpha-androstenones and their use as 5-alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1985-09-18 | — | — | EP | disclosed |
| EP-0005586-B1 | 2,4,6-TRIS-(SUBSTITUTED-AMINO)-S-TRIAZINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AMERICAN CYANAMID COMPANY (US) | 1982-04-28 | — | — | EP | disclosed |
| US-4269832-A | 2-/SUBSTITUTED-AMINO/-4,6-BIS/ALKYLAMINO/-5-TRIAZINES AS ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-05-26 | — | — | US | disclosed |