⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL11436354 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL6675731 | 0.97 | — | — | |
| SCHEMBL8466548 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL6384594 | 0.78 | — | — | |
| SCHEMBL9806237 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL9052189 | 0.78 | — | — | |
| SCHEMBL20641014 | 0.78 | — | — | |
| SCHEMBL4147207 | 0.78 | — | — | |
| SCHEMBL5598060 | 0.78 | — | — | |
| SCHEMBL18095951 | 0.76 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112314604-B | Preparation method of efficient bactericide for polymer-containing sewage in oil field | 大庆华营化工有限公司 | 2021-11-12 | — | — | CN | claimed |
| CN-112314604-A | Preparation method of efficient bactericide for polymer-containing sewage in oil field | 大庆华营化工有限公司 | 2021-02-05 | — | — | CN | claimed |
| CN-115677508-A | Preparation method of glycol mononitrate | 万华化学集团股份有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-113979452-A | Refining process of byproduct sodium bromide in bronopol synthesis | 江苏沃德化工有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-113801024-A | Method for synthesizing bronopol from bromine chloride | 天津长芦海晶集团有限公司 | 2021-12-17 | — | — | CN | disclosed |
| CN-112314604-B | Preparation method of efficient bactericide for polymer-containing sewage in oil field | 大庆华营化工有限公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-112314604-A | Preparation method of efficient bactericide for polymer-containing sewage in oil field | 大庆华营化工有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-111825733-A | Macrolides and methods of making and using the same | 哈佛大学的校长及成员们 | 2020-10-27 | — | — | CN | disclosed |
| CN-109666163-A | A kind of hybrid cross-linked dynamic aggregation object and its application | 翁秋梅 | 2019-04-23 | — | — | CN | disclosed |
| WO-2005023524-A2 | ABSORBENT FILLERS FOR THREE-DIMENSIONAL PRINTING | Z CORPORATION (US) | 2005-03-17 | — | — | WO | disclosed |
| WO-1998024332-A1 | METHOD FOR PRESERVING SOLID, LIQUID OR PASTE-LIKE PERISHABLE GOODS | UHDE HOCHDRUCKTECHNIK GMBH (DE) | 1998-06-11 | — | — | WO | disclosed |
| EP-0726357-A1 | Inhibiting anaerobic production of volatile fatty acids and hydrogen by bacteria | BETZ LABORATORIES INC. (US) | 1996-08-14 | — | — | EP | disclosed |
| EP-0436414-A1 | Process for the preparation of 2-amino-1,3-propanediol and its salts | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 1991-07-10 | — | — | EP | disclosed |
| US-4448999-A | CATALYTIC HYDROGENATION OF ALKALI SALT OF NITROPROPANEDIOL | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1984-05-15 | — | — | US | disclosed |
| US-4221740-A | CATALYTIC HYDROGENATION OF THE SODIUM SALT OF 1,3-DIHYDROXY-2-NITROPROPANE | SCHERING AKTIENGESELLSCHAFT (DE) | 1980-09-09 | — | — | US | disclosed |