⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8116559 | 0.78 | OPRM1 (0.50) | — | |
| SCHEMBL8008495 | 0.77 | — | — | |
| SCHEMBL9227193 | 0.75 | — | — | |
| SCHEMBL16548456 | 0.73 | — | — | |
| SCHEMBL22077868 | 0.73 | — | — | |
| SCHEMBL7831315 | 0.73 | — | — | |
| SCHEMBL18520209 | 0.73 | — | — | |
| SCHEMBL1485878 | 0.73 | — | — | |
| SCHEMBL997664 | 0.73 | — | — | |
| SCHEMBL7717933 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104024250-B | Heterocyclic derivatives as Trace Amine Associated Receptors (TAARs) | HOFFMAN-LA ROCHE LTD. (CH) | 2016-01-27 | — | — | CN | disclosed |
| CN-104024250-A | HETEROCYCLIC DERIVATIVES AS TRACE AMINE ASSOCIATED RECEPTORS (TAARS) | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |
| US-8198299-B2 | Cycloalkylidene and heterocycloalkylidene inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-06-12 | — | — | US | disclosed |
| US-20120045412-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-02-23 | — | — | US | disclosed |
| US-8088771-B2 | Cycloalkylidene and heterocycloalkylidene inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| EP-2326622-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010014611-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022543-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2010-01-28 | — | — | US | disclosed |