⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4771331 | 0.79 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL4774116 | 0.77 | TSHR (0.34) | — | |
| Piperazine SCHEMBL28167382 | 0.77 | PLAT (0.33) | — | |
| SCHEMBL28761565 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL3797610 | 0.74 | — | — | |
| SCHEMBL3594314 | 0.74 | — | — | |
| SCHEMBL27930086 | 0.73 | RAB9A (0.38) | — | |
| SCHEMBL27595630 | 0.73 | CYP3A4 (0.35) | — | |
| SCHEMBL11230779 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL26969254 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1996194-B1 | HOMOTROPANES WITH CENTRAL NERVOUS SYSTEM ACTIVITY | UNIV NEW YORK STATE RES FOUND (US) | 2011-03-09 | — | — | EP | disclosed |
| US-7838681-B2 | Synthesis of substituted heterocyclic compounds | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2010-11-23 | — | — | US | disclosed |
| US-7838681-B2 | Synthesis of substituted heterocyclic compounds | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2010-11-23 | — | — | US | disclosed |
| US-7550588-B2 | Homotropanes with central nervous system activity | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2009-06-23 | — | — | US | disclosed |
| EP-1620440-B1 | SYNTHESIS OF SUBSTITUTED HETEROCYCLIC COMPOUNDS | CENTRE NAT RECH SCIENT (FR) | 2009-03-11 | — | — | EP | disclosed |
| EP-1996194-A2 | HOMOTROPANES WITH CENTRAL NERVOUS SYSTEM ACTIVITY | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2008-12-03 | — | — | EP | disclosed |
| US-20070232587-A1 | Homotropanes with central nervous system activity | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2007-10-04 | — | — | US | disclosed |
| WO-2007106439-A2 | HOMOTROPANES WITH CENTRAL NERVOUS SYSTEM ACTIVITY | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2007-09-20 | — | — | WO | disclosed |
| US-20070106077-A1 | Synthesis of substituted heterocyclic compounds | UNIVERSITE DE PARIS SUD (FR) | 2007-05-10 | — | — | US | disclosed |
| US-20070106077-A1 | Synthesis of substituted heterocyclic compounds | UNIVERSITE DE PARIS SUD (FR) | 2007-05-10 | — | — | US | disclosed |