⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3178821 | 0.93 | — | — | |
| SCHEMBL10883744 | 0.93 | — | — | |
| SCHEMBL15774 | 0.78 | — | — | |
| SCHEMBL5563567 | 0.74 | — | — | |
| Potassium Ion SCHEMBL9776622 | 0.72 | — | — | |
| SCHEMBL939494 | 0.69 | — | — | |
| SCHEMBL11900957 | 0.69 | — | — | |
| Isopropyl Alcohol SCHEMBL28339044 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL15440437 | 0.67 | — | — | |
| SCHEMBL28793496 | 0.67 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3377554-A1 | PRODUCTION OF ESTERS OF 3-HYDROXYPROPIONIC ACID AND ACRYLIC ACID | BASF SE (DE) | 2018-09-26 | — | — | EP | disclosed |
| EP-1820812-B1 | Process for the preparation of a substance mixture comprising at least one polyether (alkyl)acrylate | EUROP CHEMICAL IND (IE) | 2008-05-28 | — | — | EP | disclosed |
| EP-1820812-A1 | Process for the preparation of a substance mixture comprising at least one polyether (alkyl)acrylate | ECI - European Chemical Industries Ltd. (IE) | 2007-08-22 | — | — | EP | disclosed |
| WO-2004042109-A2 | MICROSTRUCTURED EFFECT PIGMENTS | MERCK PATENT GMBH (DE) | 2004-05-21 | — | — | WO | disclosed |
| US-5719141-A | HYPOTENSIVE AGENTS | NOVARTIS CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0363458-B1 | 2,3-DIFLUOROBENZENES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| EP-0362318-B1 | 2,3-DIFLUOROBIPHENYLS | MERCK PATENT GmbH (DE) | 1993-08-04 | — | — | EP | disclosed |
| EP-0332025-B1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENES | MERCK PATENT GmbH (DE) | 1993-06-23 | — | — | EP | disclosed |
| US-5204019-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0261160-B1 | ALICYCLIC COMPOUNDS | MERCK PATENT GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |
| EP-0362318-A1 | 2,3-DIFLUOROBIPHENYLS. | MERCK PATENT GMBH (DE) | 1990-04-11 | — | — | EP | disclosed |
| EP-0357739-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK PATENT GmbH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989008687-A1 | 2,3-DIFLUOROBIPHENYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| WO-1989008639-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332025-A1 | Chiral derivatives of 1,2-difluorobenzenes | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |
| EP-0261160-A1 | Alicyclic compounds. | MERCK PATENT GMBH (DE) | 1988-03-30 | — | — | EP | disclosed |
| WO-1987005599-A1 | TERTIARY ALCOHOLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-09-24 | — | — | WO | disclosed |