⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1885262 | 0.83 | — | — | |
| SCHEMBL2289375 | 0.81 | — | — | |
| SCHEMBL22551299 | 0.81 | CYP2C19 (0.60) | — | |
| SCHEMBL12506492 | 0.79 | CYP2C19 (0.43) | — | |
| SCHEMBL6843334 | 0.79 | CYP2C19 (0.43) | — | |
| SCHEMBL25281666 | 0.79 | CYP2C19 (0.43) | — | |
| SCHEMBL6843354 | 0.79 | CYP2C19 (0.43) | — | |
| SCHEMBL3741828 | 0.76 | — | — | |
| SCHEMBL5596519 | 0.76 | CYP2C19 (0.40) | — | |
| SCHEMBL323739 | 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1098408-A | The heterocycle inhibitor of farnesyl-protein transferase | BRISTOL MYERS SQIBB COMPANY (US) | 1995-02-08 | — | — | CN | claimed |
| US-4144256-A | FATTY AMIDE SUBSTITUTED WITH ACETYLTHIO GROUP OR GROUPS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1979-03-13 | — | — | US | claimed |
| EP-3075736-B1 | MERCAPTOALKYL GLYCOLURILS AND USE OF SAME | SHIKOKU CHEM (JP) | 2018-08-22 | — | — | EP | disclosed |
| US-10030023-B2 | Mercaptoalkylglycolurils and use of same | SHIKOKU CHEMICALS CORPORATION (JP) | 2018-07-24 | — | — | US | disclosed |
| US-20160289237-A1 | MERCAPTOALKYLGLYCOLURILS AND USE OF SAME | SHIKOKU CHEMICALS CORPORATION (JP) | 2016-10-06 | — | — | US | disclosed |
| EP-3075736-A1 | MERCAPTOALKYL GLYCOLURILS AND USE OF SAME | Shikoku Chemicals Corporation (JP) | 2016-10-05 | — | — | EP | disclosed |
| CN-105764907-A | Mercaptoalkyl glycolurils and use of same | 四国化成工业株式会社 | 2016-07-13 | — | — | CN | disclosed |
| CN-102442947-B | Preparation method of Montelukast Sodium intermediate | SHANGHAI YINGLI TECHNOLOGY CO LTD | 2013-10-16 | — | — | CN | disclosed |
| CN-102442948-B | Method for preparing montelukast sodium intermediate | SHANGHAI YINGLI TECHNOLOGY CO LTD | 2013-10-16 | — | — | CN | disclosed |
| EP-2192109-B1 | BICYCLIC -AMINO ACID DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2013-09-04 | — | — | EP | disclosed |
| CN-102442947-A | Preparation method of Montelukast Sodium intermediate | SHANGHAI YINGLI TECHNOLOGY CO LTD | 2012-05-09 | — | — | CN | disclosed |
| US-5965550-A | INHIBITING STEROID C17-20 LYASE BY ADMINISTERING A 4-NITRO STEROID INHIBITORY COMPOUND OF GIVEN FORMULA, SUCH AS 17B-CYCLOPROPYLOXY-4-NITROANDROST-4-EN-3-ONE; INHIBITS FORMATION OF BOTH ANDROGENIC AND ESTROGENIC STEROIDS | MERRELL PHARMACEUTICALS INC. (US) | 1999-10-12 | — | — | US | disclosed |
| US-5869475-A | Certain 3-ketosteroids used to inhibit steroid 5α-reductase | MERRELL PHARMACEUTICALS, INC. (US) | 1999-02-09 | — | — | US | disclosed |
| EP-0758340-B1 | PROCESS FOR THE PREPARATION OF 4-AMINO-DELTA 4-3-KETOSTEROIDS VIA 4-NITRO-DELTA 4-3-KETOSTEROIDS | MERRELL PHARMA INC (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5750744-A | ENZYME INHIBITORS | MERRELL PHARMACEUTICALS INC. (US) | 1998-05-12 | — | — | US | disclosed |
| EP-0758340-A1 | PROCESS FOR THE PREPARATION OF 4-AMINO-DELTA 4-3-KETOSTEROIDS VIA 4-NITRO-DELTA 4-3-KETOSTEROIDS | MERRELL PHARMACEUTICALS INC. (US) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995029932-A1 | PROCESS FOR THE PREPARATION OF 4-AMINO-Δ4-3-KETOSTEROIDS VIA 4-NITRO-Δ4-3-KETOSTEROIDS | MERRELL PHARMACEUTICALS INC. (US) | 1995-11-09 | — | — | WO | disclosed |
| CN-1098408-A | The heterocycle inhibitor of farnesyl-protein transferase | BRISTOL MYERS SQIBB COMPANY (US) | 1995-02-08 | — | — | CN | disclosed |
| US-4144256-A | FATTY AMIDE SUBSTITUTED WITH ACETYLTHIO GROUP OR GROUPS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1979-03-13 | — | — | US | disclosed |
| US-4062841-A | MICROBIOCIDE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1977-12-13 | — | — | US | disclosed |