⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL29098211 | 0.95 | LMNA (0.60) | — | |
| Acetone SCHEMBL8505655 | 0.95 | LMNA (0.60) | — | |
| Acetone SCHEMBL39581 | 0.95 | — | — | |
| Acetone SCHEMBL10768381 | 0.95 | LMNA (0.60) | — | |
| Acetone SCHEMBL10855260 | 0.95 | LMNA (0.60) | — | |
| Acetone SCHEMBL2783426 | 0.91 | — | — | |
| Acetone SCHEMBL9790224 | 0.91 | — | — | |
| Acetone SCHEMBL28768895 | 0.91 | LMNA (0.55) | — | |
| Acetone SCHEMBL28859806 | 0.91 | — | — | |
| Acetone SCHEMBL970686 | 0.91 | LMNA (0.55) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8008500-B2 | Intermediates useful for making tetrabenazine compounds | GENERAL ELECTRIC COMPANY (US) | 2011-08-30 | — | — | US | disclosed |
| US-7897768-B2 | Method for making tetrabenazine compounds | GENERAL ELECTRIC COMPANY (US) | 2011-03-01 | — | — | US | disclosed |
| EP-2176226-A1 | METHOD FOR MAKING TETRABENAZINE COMPOUNDS | GENERAL ELECTRIC COMPANY (US) | 2010-04-21 | — | — | EP | disclosed |
| WO-2008154243-A1 | METHOD FOR MAKING TETRABENAZINE COMPOUNDS | GENERAL ELECTRIC COMPANY (US) | 2008-12-18 | — | — | WO | disclosed |
| US-20080306269-A1 | INTERMEDIATES USEFUL FOR MAKING TETRABENAZINE COMPOUNDS | GENERAL ELECTRIC COMPANY (US) | 2008-12-11 | — | — | US | disclosed |
| US-20080306267-A1 | METHOD FOR MAKING TETRABENAZINE COMPOUNDS | GENERAL ELECTRIC COMPANY (US) | 2008-12-11 | — | — | US | disclosed |
| EP-0154476-B1 | STEROID COMPOUND | STERWIN AG. (CH) | 1990-05-16 | — | — | EP | disclosed |
| US-4704464-A | CHELATE COMPOUNDS | ASTA-WERKE AKTIENGESELLSCHAFT CHEMISCHE FABRIK (DE) | 1987-11-03 | — | — | US | disclosed |
| EP-0154476-A2 | Steroid compound | STERWIN AG. (CH) | 1985-09-11 | — | — | EP | disclosed |