⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12821067 | 1.00 | — | — | |
| SCHEMBL17929593 | 1.00 | — | — | |
| SCHEMBL2118344 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9232187 | 0.96 | — | — | |
| SCHEMBL18277107 | 0.83 | — | — | |
| SCHEMBL25557 | 0.79 | — | — | |
| 3-Pentanol SCHEMBL5341 | 0.79 | — | — | |
| SCHEMBL9946205 | 0.76 | — | — | |
| SCHEMBL9945693 | 0.76 | — | — | |
| 3-Pentanol SCHEMBL3183384 | 0.75 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8013161-B1 | Fluoroalkyl tetrabenazine carbinol compounds as imaging agents and probes | GENERAL ELECTRIC COMPANY (US) | 2011-09-06 | — | — | US | disclosed |
| US-20110206609-A1 | FLUOROALKYL TETRABENAZINE CARBINOL COMPOUNDS AS IMAGING AGENTS AND PROBES | GENERAL ELECTRIC COMPANY (US) | 2011-08-25 | — | — | US | disclosed |
| US-7919622-B2 | Intermediates for fluorinated tetrabenazine carbinol compounds imaging agents and probes | GENERAL ELECTRIC COMPANY | 2011-04-05 | — | — | US | disclosed |
| US-7910738-B2 | Intermediates for alpha-fluoroalkyl tetrabenazine and dihydrotetrabenazine imaging agents and probes | GENERAL ELECTRIC COMPANY (US) | 2011-03-22 | — | — | US | disclosed |
| US-7897769-B2 | Intermediates for fluorinated dihydrotetrabenazine ether imaging agents and probes | GENERAL ELECTRIC COMPANY (US) | 2011-03-01 | — | — | US | disclosed |
| US-20090149654-A1 | INTERMEDIATES FOR FLUORINATED TETRABENAZINE CARBINOL COMPOUNDS IMAGING AGENTS AND PROBES | GENERAL ELECTRIC COMPANY (US) | 2009-06-11 | — | — | US | disclosed |
| US-20090143587-A1 | INTERMEDIATES FOR ALPHA-FLUOROALKYL TETRABENAZINE AND DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES | GENERAL ELECTRIC COMPANY (US) | 2009-06-04 | — | — | US | disclosed |
| US-20090142265-A1 | ALPHA-FLUOROALKYL TETRABENAZINE AND DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES | GENERAL ELECTRIC COMPANY (US) | 2009-06-04 | — | — | US | disclosed |
| US-20090110636-A1 | FLUORINATED DIHYDROTETRABENAZINE ETHER IMAGING AGENTS AND PROBES | GENERAL ELECTRIC COMPANY (US) | 2009-04-30 | — | — | US | disclosed |
| US-20090111990-A1 | INTERMEDIATES FOR FLUORINATED DIHYDROTETRABENAZINE ETHER IMAGING AGENTS AND PROBES | GENERAL ELECTRIC COMPANY (US) | 2009-04-30 | — | — | US | disclosed |