⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3219 | 1.00 | — | — | |
| SCHEMBL14844281 | 1.00 | — | — | |
| SCHEMBL12203926 | 1.00 | — | — | |
| SCHEMBL12334971 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL2183062 | 1.00 | — | — | |
| SCHEMBL7933931 | 1.00 | — | — | |
| SCHEMBL23934877 | 0.96 | ALDH1A1 (0.33) | — | |
| SCHEMBL51905 | 0.96 | ALDH1A1 (0.33) | — | |
| SCHEMBL7944366 | 0.96 | ALDH1A1 (0.33) | — | |
| Water SCHEMBL8733652 | 0.96 | — | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6111125-A | Preparation of (1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl methyl ketone and derivatives and stereoisomers of this compound | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-29 | — | — | US | claimed |
| EP-0671378-B1 | Process for the preparation of (1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl-methylketone, its derivatives and stereoisomers | BASF AG (DE) | 1997-01-29 | — | — | EP | claimed |
| US-20230192672-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL MYERS SQUIBB (US) | 2023-06-22 | — | — | US | disclosed |
| EP-4146646-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | Bristol-Myers Squibb Company (US) | 2023-03-15 | — | — | EP | disclosed |
| EP-2239291-B2 | POLYETHER CARBONATE POLYOLS MADE VIA DOUBLE METAL CYANIDE (DMC) CATALYSIS | COVESTRO LLC (US) | 2022-03-09 | — | — | EP | disclosed |
| WO-2021226002-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-11-11 | — | — | WO | disclosed |
| EP-3626795-A1 | CURABLE COMPOSITION FOR ADHESIVE AGENT, ADHESIVE SHEET, CURED ARTICLE, LAMINATE, AND APPARATUS | Daicel Corporation (JP) | 2020-03-25 | — | — | EP | disclosed |
| EP-2763756-B1 | BROMOFLUOROCARBON COMPOSITIONS | AMERICAN PACIFIC CORP (US) | 2019-06-12 | — | — | EP | disclosed |
| EP-2046861-B1 | POLYETHER CARBONATE POLYOLS VIA CATALYSIS OF NON-CRYSTALLINE DOUBLE METAL CYANIDE (DMC) | COVESTRO LLC (US) | 2019-01-23 | — | — | EP | disclosed |
| WO-2017044572-A1 | RING CONSTRAINED DIARYLAMINO SULFONAMIDES AS ANTI-CANCER AGENTS | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2017-03-16 | — | — | WO | disclosed |
| CN-105153133-A | New compound for conversion of auricular fibrillation, preparation method, pharmaceutical composition and application | ANHUI YIXINMING PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-12-16 | — | — | CN | disclosed |
| US-20070265472-A1 | Asymmetric Reaction Catalyst and Method for Preparing Optically Active Compound Using the Same | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2007-11-15 | — | — | US | disclosed |
| US-20070265472-A1 | Asymmetric Reaction Catalyst and Method for Preparing Optically Active Compound Using the Same | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2007-11-15 | — | — | US | disclosed |
| US-7192968-B2 | Ethylenediamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20070004676-A1 | Methods of using [3.2.0] heterocyclic compounds and analogs thereof | TRIPHASE RESEARCH AND DEVELOPMENT I CORP. (CA) | 2007-01-04 | — | — | US | disclosed |
| EP-1230207-B1 | METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS | PEDERSON RICHARD L (US) | 2005-06-22 | — | — | EP | disclosed |
| US-6696597-B2 | CROSS-METATHESIZING A TERMINAL OLEFIN AND INTERNAL OLEFIN IN PRESENCE OF CATALYST, TO FORM METATHESIS PRODUCT AND A SIDE PRODUCT; APPLYING CONDITIONS OF SUFFICIENTLY HIGH TEMPERATURE AND/OR LOW PRESSURE TO EVAPORTE SIDE PRODUCT | TILLIECHEM, INC. | 2004-02-24 | — | — | US | disclosed |
| US-20020022741-A1 | Metathesis syntheses of pheromones or their components | MATERIA, INC. | 2002-02-21 | — | — | US | disclosed |
| US-6111125-A | Preparation of (1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl methyl ketone and derivatives and stereoisomers of this compound | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-29 | — | — | US | disclosed |
| US-4500704-A | POLYCARBONATE-ESTER COPOLYMER | THE DOW CHEMICAL COMPANY (US) | 1985-02-19 | — | — | US | disclosed |