⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5463726 | 0.88 | — | — | |
| SCHEMBL4578985 | 0.88 | — | — | |
| SCHEMBL1758252 | 0.88 | — | — | |
| SCHEMBL2359513 | 0.85 | ADH1B (0.36) | — | |
| SCHEMBL4653000 | 0.81 | ADH1B (0.32) | — | |
| SCHEMBL8670105 | 0.81 | ADH1B (0.32) | — | |
| SCHEMBL9384340 | 0.81 | GBA1 (0.30) | — | |
| SCHEMBL3636058 | 0.79 | ADH1B (0.36) | — | |
| SCHEMBL4654343 | 0.79 | ADH1B (0.36) | — | |
| SCHEMBL3166187 | 0.79 | ADH1B (0.36) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2496548-A1 | ESTERS AS PERFUMING INGREDIENTS | Firmenich S.A. (CH) | 2012-09-12 | — | — | EP | claimed |
| EP-1105394-A1 | ISOXAZOLO 4,5-d]PYRIMIDINES AS CRF ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-06-13 | — | — | EP | claimed |
| WO-2000011003-A1 | ISOXAZOLO[4,5-d]PYRIMIDINES AS CRF ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-03-02 | — | — | WO | claimed |
| CN-107108416-A | A kind of preparation method of 1,2 Bicyclopropyl ethyl -phenol and its optical isomer | 四川海思科制药有限公司 | 2017-08-29 | — | — | CN | disclosed |
| EP-1986598-A1 | UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE | Merck Patent GmbH (DE) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093252-A1 | UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE | MERCK PATENT GMBH (DE) | 2007-08-23 | — | — | WO | disclosed |
| EP-1396491-A2 | 2-substituted 4,5-diaryl-imidazoles and their use as p38 MAP kinase inhibitors | Novartis AG (CH) | 2004-03-10 | — | — | EP | disclosed |
| US-6300347-B1 | FOR THERAPY OF TUMOR NECROSIS FACTOR AND INTERLEUKIN-1 MEDIATED DISEASES SUCH AS RHEUMATOID ARTHRITIS AND DISEASES OF BONE METABOLISM, E.G. OSTEOPOROSIS | NOVARTIS AG (CH) | 2001-10-09 | — | — | US | disclosed |
| EP-1105394-A1 | ISOXAZOLO 4,5-d]PYRIMIDINES AS CRF ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000011003-A1 | ISOXAZOLO[4,5-d]PYRIMIDINES AS CRF ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-03-02 | — | — | WO | disclosed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |