⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9814075 | 0.82 | — | — | |
| SCHEMBL2331774 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL30801394 | 0.74 | NOTUM (0.32) | — | |
| SCHEMBL29899196 | 0.70 | — | — | |
| SCHEMBL11018013 | 0.67 | CYP19A1 (0.41) | — | |
| SCHEMBL4202227 | 0.66 | NPC1 (0.30) | — | |
| SCHEMBL17321300 | 0.66 | TSHR (0.41) | — | |
| SCHEMBL20119350 | 0.64 | CYP1A2 (0.34) | — | |
| SCHEMBL7239683 | 0.63 | — | — | |
| SCHEMBL15979333 | 0.62 | CYP1A2 (0.33) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0270963-B1 | FLUOR-CONTAINING 5-TRIHALOGEN METHYL ISOXAZOLES, AND METHOD FOR THEIR PREPARATION | BAYER AG (DE) | 1991-08-07 | — | — | EP | claimed |
| EP-0270963-A1 | Fluor-containing 5-trihalogen methyl isoxazoles, and method for their preparation | BAYER AG (DE) | 1988-06-15 | — | — | EP | claimed |
| EP-0091022-B1 | 5-TRICHLOROMETHYL ISOXAZOLE, PROCESS FOR ITS PREPARATION AND ITS USE | BASF Aktiengesellschaft (DE) | 1985-11-21 | — | — | EP | claimed |
| EP-0091022-A1 | 5-Trichloromethyl isoxazole, process for its preparation and its use | BASF Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | claimed |
| EP-0826672-B1 | Process for the preparation of azine-carboxylic acid chlorides | BASF AG (DE) | 2005-06-15 | — | — | EP | disclosed |
| CN-1188397-C | Process for preparation of acid chloride compounds | AMERICAN CYANAMID CO (US) | 2005-02-09 | — | — | CN | disclosed |
| EP-0826672-A1 | Process for the preparation of azine-carboxylic acid chlorides | American Cyanamid Company (US) | 1998-03-04 | — | — | EP | disclosed |
| CN-1174834-A | Process for preparation of acid chloride compounds | AMERICAN CYANAMID CO (US) | 1998-03-04 | — | — | CN | disclosed |
| EP-0270963-B1 | FLUOR-CONTAINING 5-TRIHALOGEN METHYL ISOXAZOLES, AND METHOD FOR THEIR PREPARATION | BAYER AG (DE) | 1991-08-07 | — | — | EP | disclosed |
| US-4888430-A | CHEMICAL INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-19 | — | — | US | disclosed |
| US-4868198-A | ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-19 | — | — | US | disclosed |
| EP-0285947-A2 | 3-Haloalkyl-1-aryl-pyrazoles | BAYER AG (DE) | 1988-10-12 | — | — | EP | disclosed |
| EP-0270963-A1 | Fluor-containing 5-trihalogen methyl isoxazoles, and method for their preparation | BAYER AG (DE) | 1988-06-15 | — | — | EP | disclosed |
| EP-0091022-B1 | 5-TRICHLOROMETHYL ISOXAZOLE, PROCESS FOR ITS PREPARATION AND ITS USE | BASF Aktiengesellschaft (DE) | 1985-11-21 | — | — | EP | disclosed |
| EP-0091022-B1 | 5-TRICHLOROMETHYL ISOXAZOLE, PROCESS FOR ITS PREPARATION AND ITS USE | BASF Aktiengesellschaft (DE) | 1985-11-21 | — | — | EP | disclosed |
| EP-0091022-A1 | 5-Trichloromethyl isoxazole, process for its preparation and its use | BASF Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | disclosed |
| EP-0091022-A1 | 5-Trichloromethyl isoxazole, process for its preparation and its use | BASF Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | disclosed |
| EP-0091022-A1 | 5-Trichloromethyl isoxazole, process for its preparation and its use | BASF Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | disclosed |