⚠ 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 | |
|---|---|---|---|---|
| Busulfan SCHEMBL27869023 | 0.92 | TSHR (0.75) | — | |
| SCHEMBL11980487 | 0.92 | TSHR (0.75) | — | |
| SCHEMBL20579167 | 0.91 | TSHR (0.58) | — | |
| SCHEMBL9690280 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL9689547 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL9690377 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL9690273 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL5200794 | 0.90 | TSHR (0.71) | — | |
| Butyl Alcohol SCHEMBL5300246 | 0.86 | ALDH1A1 (0.58) | — | |
| SCHEMBL302015 | 0.83 | — | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1997620-A | Ionic liquids comprising nitrogen-containing cations | UNIV YORK (GB) | 2007-07-11 | — | — | CN | claimed |
| CN-106459827-A | Method for purifying refined lipid phases | 德雷伊利林PVG有限责任两合公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-102549049-B | Process for dry grinding polysaccharide derivatives | DOW GLOBAL TECHNOLOGIES LLC | 2014-12-10 | — | — | CN | disclosed |
| CN-102597068-B | A process for dry-grinding a polysaccharide derivative | DOW GLOBAL TECHNOLOGIES LLC (US) | 2014-10-01 | — | — | CN | disclosed |
| CN-102295429-B | Cellulose ether composition for dry mortar formulations | DOW CHEMICAL CO | 2013-12-04 | — | — | CN | disclosed |
| CN-103068855-A | Process for preparing stable dispersions of starch particles | DOW GLOBAL TECHNOLOGIES LLC | 2013-04-24 | — | — | CN | disclosed |
| CN-103025315-A | A method of controlling the release of an active ingredient from a dosage form | DOW GLOBAL TECHNOLOGIES LLC | 2013-04-03 | — | — | CN | disclosed |
| CN-1997620-B | Ionic liquids comprising nitrogen-containing cations | UNIV YORK | 2012-10-03 | — | — | CN | disclosed |
| CN-102597068-A | A process for dry-grinding a polysaccharide derivative | DOW GLOBAL TECHNOLOGIES INC | 2012-07-18 | — | — | CN | disclosed |
| CN-102549049-A | Process for dry grinding polysaccharide derivatives | DOW GLOBAL TECHNOLOGIES LLC | 2012-07-04 | — | — | CN | disclosed |
| WO-1994004525-A1 | BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-03-03 | — | — | WO | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |
| EP-0382185-A2 | Carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-08-16 | — | — | EP | disclosed |
| US-4925856-A | Aldoxime-substituted imidazolium derivatives useful in the treatment of poisoning by phosphorus-containing chemicals | SRI INTERNATIONAL (US) | 1990-05-15 | — | — | US | disclosed |
| US-4432984-A | Anti-hypertensive benzodioxan derivatives | Bouchara, Emile (FR) | 1984-02-21 | — | — | US | disclosed |
| US-4377581-A | ANTIHYPERTENSIVE AGENTS | PFIZER INC. (US) | 1983-03-22 | — | — | US | disclosed |
| US-4351940-A | Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines | PFIZER INC. (US) | 1982-09-28 | — | — | US | disclosed |
| US-4287341-A | USEFUL AS ANTIHYPERTENSIVE AGENTS | PFIZER INC. (US) | 1981-09-01 | — | — | US | disclosed |
| EP-0028473-A1 | Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them | PFIZER INC. (US) | 1981-05-13 | — | — | EP | disclosed |