⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL887923 | 0.77 | — | — | |
| SCHEMBL8067756 | 0.74 | — | — | |
| SCHEMBL9263976 | 0.72 | — | — | |
| SCHEMBL30861 | 0.69 | — | — | |
| SCHEMBL3803581 | 0.69 | — | — | |
| SCHEMBL8520920 | 0.67 | — | — | |
| SCHEMBL9265706 | 0.67 | — | — | |
| SCHEMBL5133871 | 0.67 | LPAR2 (0.36) | — | |
| SCHEMBL8951390 | 0.65 | — | — | |
| SCHEMBL2209108 | 0.65 | — | — |
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-20170313703-A1 | Cis-tetrahydro-spiro(cyclohexane-1,1?-pyrido[3,4-b]indole)-4-amine Compounds | GRUENENTHAL GMBH (DE) | 2017-11-02 | — | — | US | disclosed |
| US-20160159787-A1 | Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds | GRUENENTHAL GMBH (DE) | 2016-06-09 | — | — | US | disclosed |
| US-8404740-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2013-03-26 | — | — | US | disclosed |
| US-8293758-B2 | Substituted spirocyclic cyclohexane derivatives | GRUNENTHAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20120029006-A1 | Cis-tetrahydro-spiro(cyclohexane-1,1'-pyrido[3,4-b]indole)-4-amine Compounds | GRUENENTHAL GMBH (DE) | 2012-02-02 | — | — | US | disclosed |
| US-7960404-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2011-06-14 | — | — | US | disclosed |
| US-20100048554-A1 | Spirocyclic Cyclohexane Compounds | GRUENENTHAL GMBH (DE) | 2010-02-25 | — | — | US | disclosed |
| US-20100048553-A1 | Spirocyclic Cyclohexane Compounds | GRUENENTHAL GMBH (DE) | 2010-02-25 | — | — | US | disclosed |
| US-20090247561-A1 | SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUNENTHAL GMBH (DE) | 2009-10-01 | — | — | US | disclosed |