⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL988074 | 0.95 | NAAA (0.50) | — | |
| SCHEMBL7687118 | 0.93 | CYP2C19 (0.53) | — | |
| SCHEMBL158117 | 0.93 | CYP2C19 (0.53) | — | |
| SCHEMBL7692369 | 0.93 | CYP2C19 (0.53) | — | |
| SCHEMBL3367960 | 0.90 | — | — | |
| SCHEMBL7688442 | 0.82 | NAAA (0.52) | — | |
| SCHEMBL7820603 | 0.81 | NAAA (0.43) | — | |
| SCHEMBL987422 | 0.80 | NAAA (0.38) | — | |
| SCHEMBL28448079 | 0.80 | NAAA (0.59) | — | |
| SCHEMBL6058407 | 0.80 | NAAA (0.48) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6025528-A | Aqueous method to prepare cyclopropyl methylketone from acetyl-propanol | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-02-15 | — | — | US | claimed |
| WO-1999044979-A1 | AN AQUEOUS METHOD TO PREPARE CYCLOPROPYL METHYLKETONE FROM ACETYL-PROPANOL | GREAT LAKES CHEMICAL CORPORATION (US) | 1999-09-10 | — | — | WO | claimed |
| EP-0244130-B1 | PROCESS FOR MAKING 6-ARYL-2-METHYL PYRIDINES | ROHM AND HAAS COMPANY (US) | 1990-01-17 | — | — | EP | claimed |
| US-4804761-A | Process for making 6-aryl-2-methylpyridines | ROHM AND HAAS COMPANY (US) | 1989-02-14 | — | — | US | claimed |
| EP-0244130-A2 | Process for making 6-aryl-2-methyl pyridines | ROHM AND HAAS COMPANY (US) | 1987-11-04 | — | — | EP | claimed |
| US-6337305-B1 | HERBICIDES FOR AGRICULTURE | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-08 | — | — | US | disclosed |
| US-6191070-B1 | Pyrimidinone derivatives and herbicides containing them | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-02-20 | — | — | US | disclosed |
| WO-2000021936-A1 | URACIL HERBICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-04-20 | — | — | WO | disclosed |
| US-6025528-A | Aqueous method to prepare cyclopropyl methylketone from acetyl-propanol | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-02-15 | — | — | US | disclosed |
| US-6025528-A | Aqueous method to prepare cyclopropyl methylketone from acetyl-propanol | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-02-15 | — | — | US | disclosed |
| EP-0968188-A1 | SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-05 | — | — | EP | disclosed |
| WO-1999044979-A1 | AN AQUEOUS METHOD TO PREPARE CYCLOPROPYL METHYLKETONE FROM ACETYL-PROPANOL | GREAT LAKES CHEMICAL CORPORATION (US) | 1999-09-10 | — | — | WO | disclosed |
| WO-1999044979-A1 | AN AQUEOUS METHOD TO PREPARE CYCLOPROPYL METHYLKETONE FROM ACETYL-PROPANOL | GREAT LAKES CHEMICAL CORPORATION (US) | 1999-09-10 | — | — | WO | disclosed |
| EP-0902029-A1 | Pyrimidinone derivatives and herbicides containing them | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-03-17 | — | — | EP | disclosed |
| WO-1998042671-A1 | SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-01 | — | — | WO | disclosed |
| EP-0850227-A1 | PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-01 | — | — | EP | disclosed |
| EP-0721454-A1 | NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST | J. URIACH & CIA. S.A. (ES) | 1996-07-17 | — | — | EP | disclosed |
| EP-0244130-B1 | PROCESS FOR MAKING 6-ARYL-2-METHYL PYRIDINES | ROHM AND HAAS COMPANY (US) | 1990-01-17 | — | — | EP | disclosed |
| US-4804761-A | Process for making 6-aryl-2-methylpyridines | ROHM AND HAAS COMPANY (US) | 1989-02-14 | — | — | US | disclosed |
| EP-0244130-A2 | Process for making 6-aryl-2-methyl pyridines | ROHM AND HAAS COMPANY (US) | 1987-11-04 | — | — | EP | disclosed |