⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6689515 | 0.76 | — | — | |
| SCHEMBL10545764 | 0.76 | — | — | |
| SCHEMBL8637787 | 0.73 | — | — | |
| SCHEMBL723930 | 0.69 | — | — | |
| SCHEMBL28756937 | 0.69 | — | — | |
| SCHEMBL19014757 | 0.69 | — | — | |
| SCHEMBL2146735 | 0.69 | — | — | |
| SCHEMBL12712929 | 0.69 | — | — | |
| SCHEMBL5530809 | 0.69 | — | — | |
| SCHEMBL12653115 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112661586-B | Preparation method of 3,3-dimethyl-1-butyne | 山东铂源药业股份有限公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-112661586-A | Preparation method of 3,3-dimethyl-1-butyne | 山东铂源药业有限公司 | 2021-04-16 | — | — | CN | disclosed |
| US-9012463-B2 | Inhibitors of bruton's tyrosine kinase | PHARMACYCLICS, INC. (US) | 2015-04-21 | — | — | US | disclosed |
| US-20140080844-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2014-03-20 | — | — | US | disclosed |
| US-20110086866-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2011-04-14 | — | — | US | disclosed |
| EP-1493744-A1 | Tropane analogs and methods for inhibition of monoamine transport | ORGANIX, INC. (US) | 2005-01-05 | — | — | EP | disclosed |
| US-6670375-B2 | Particularly, 8-aza-, 8-carbo- and 8-oxo- tropanes having 6-or 7-substituents; preferred are the dopamine transporter, the serotonin transporter and the norepinephrine transporter. | ORGANIX, INC. | 2003-12-30 | — | — | US | disclosed |
| US-20030069269-A1 | Tropane analogs and methods for inhibition of monoamine | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-04-10 | — | — | US | disclosed |
| US-6417221-B1 | SEROTONIN REUPTAKE INHIBITORS OR ANTISEROTONIN AGENTS | ORGANIX, INC. | 2002-07-09 | — | — | US | disclosed |
| US-6353105-B1 | INHIBITORS OF 5-HYDROXY-TRYPTAMINE REUPTAKE OF A MONOAMINE TRANSPORTER; ANALOGS OF COCAINE; | ORGANIX, INC. | 2002-03-05 | — | — | US | disclosed |
| US-20020010207-A1 | Tropane analogs and methods for inhibition of monoamine transport | WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) | 2002-01-24 | — | — | US | disclosed |
| US-5948933-A | THERAPY FOR DRUG ABRUSE | ORGANIX, INC. (US) | 1999-09-07 | — | — | US | disclosed |