⚠ 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 | |
|---|---|---|---|---|
| 1,2-Dichloroethane SCHEMBL5900065 | 0.82 | TSHR (0.62) | — | |
| 1,2-Dichloroethane SCHEMBL7491055 | 0.82 | TSHR (0.62) | — | |
| 1,2-Dichloroethane SCHEMBL504638 | 0.82 | — | — | |
| Acetone SCHEMBL2311348 | 0.80 | — | — | |
| 1,2-Dichloroethane SCHEMBL3406969 | 0.78 | — | — | |
| Acetic Acid SCHEMBL495776 | 0.77 | — | — | |
| 1,2-Dichloroethane SCHEMBL3224291 | 0.76 | — | — | |
| 1,2-Dichloroethane SCHEMBL10445508 | 0.76 | — | — | |
| 1,2-Dichloroethane SCHEMBL4584447 | 0.74 | — | — | |
| 1,2-Dichloroethane SCHEMBL127 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |