⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9426579 | 0.71 | — | — | |
| SCHEMBL4624350 | 0.67 | — | — | |
| SCHEMBL8732331 | 0.67 | — | — | |
| SCHEMBL1861309 | 0.67 | — | — | |
| SCHEMBL2442385 | 0.67 | — | — | |
| SCHEMBL3831743 | 0.67 | — | — | |
| SCHEMBL492076 | 0.67 | — | — | |
| SCHEMBL1570026 | 0.67 | — | — | |
| SCHEMBL2038001 | 0.67 | — | — | |
| SCHEMBL1742345 | 0.64 | — | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5109131-A | METHOD FOR PRODUCTION OF T-BUTYL 3-OXOBUTYRATES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-28 | — | — | US | claimed |
| US-4517361-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-05-14 | — | — | US | claimed |
| US-4421912-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1983-12-20 | — | — | US | claimed |
| CN-102414205-B | Isoxazole-pyrazole derivatives | HOFFMANN LA ROCHE | 2014-11-05 | — | — | CN | disclosed |
| CN-102414208-B | Isoxazole-thiazole derivatives as GABAA a receptor inverse agonists for use in the treatment of cognitive disorders | HOFFMANN LA ROCHE | 2014-11-05 | — | — | CN | disclosed |
| CN-102414206-B | Isoxazole-pyridine derivatives | HOFFMANN LA ROCHE | 2014-11-05 | — | — | CN | disclosed |
| EP-2680842-A1 | METHODS OF TREATING A DISEASE OR CONDITION OF THE CENTRAL NERVOUS SYSTEM | Bionomics Limited (AU) | 2014-01-08 | — | — | EP | disclosed |
| EP-1349914-B2 | A PROCESS FOR THE PRODUCTION OF CLEANING AGENTS | RECKITT BENCKISER NV (NL) | 2013-09-04 | — | — | EP | disclosed |
| CN-103249728-A | Novel triazole compounds III | HOFFMANN LA ROCHE | 2013-08-14 | — | — | CN | disclosed |
| CN-101646656-B | Pyrimidine hydrazide compounds as PGDS inhibitors | SANOFI AVENTIS SPA | 2013-08-14 | — | — | CN | disclosed |
| CN-103221402-A | Triazole derivatives and their use for neurological disorders | HOFFMANN LA ROCHE | 2013-07-24 | — | — | CN | disclosed |
| WO-2009106708-A2 | AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY | SANOFI-AVENTIS (FR) | 2009-09-03 | — | — | WO | disclosed |
| WO-2008098058-A1 | PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE | NOVARTIS AG (CH) | 2008-08-14 | — | — | WO | disclosed |
| CN-1906183-A | N-acylsulfonamide apoptosis promoters | ABBOTT LAB (US) | 2007-01-31 | — | — | CN | disclosed |
| CN-1224427-A | 6-O-substituted erythromycin compounds and preparation method thereof | ABBOTT LAB (US) | 1999-07-28 | — | — | CN | disclosed |
| US-5358949-A | Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-25 | — | — | US | disclosed |
| US-5017724-A | Antihypoxic, CNS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-21 | — | — | US | disclosed |
| EP-0267024-B1 | HYDROFLUORENE DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | EP | disclosed |
| EP-0267024-A2 | Hydrofluorene derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-05-11 | — | — | EP | disclosed |
| EP-0236140-A2 | Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-09-09 | — | — | EP | disclosed |