⚠ 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 | |
|---|---|---|---|---|
| Hexadecane SCHEMBL22136 | 0.94 | TSHR (1.00) | — | |
| Decane SCHEMBL8505762 | 0.94 | TSHR (1.00) | — | |
| Octane SCHEMBL1585515 | 0.94 | TSHR (1.00) | — | |
| Hexadecane SCHEMBL23499901 | 0.94 | TSHR (1.00) | — | |
| Decane SCHEMBL23499900 | 0.94 | TSHR (1.00) | — | |
| Tetradecane SCHEMBL25387874 | 0.94 | TSHR (1.00) | — | |
| SCHEMBL23854647 | 0.94 | TSHR (1.00) | — | |
| Tetradecane SCHEMBL23924271 | 0.94 | TSHR (1.00) | — | |
| Dodecane SCHEMBL4052434 | 0.94 | TSHR (1.00) | — | |
| Undecane SCHEMBL20767628 | 0.94 | TSHR (1.00) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2431368-B1 | CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives | ABBVIE BAHAMAS LTD (BS) | 2014-08-27 | — | — | EP | claimed |
| US-7335753-B2 | Bifunctional heterocyclic compounds and methods of making and using same | RIB-X PHARMACEUTICALS, INC. (US) | 2008-02-26 | — | — | US | disclosed |
| US-20060264385-A1 | Bifunctional heterocyclic compounds and methods of making and using same | BioVersys AG (CH) | 2006-11-23 | — | — | US | disclosed |
| US-20050009830-A1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY. | 2005-01-13 | — | — | US | disclosed |
| EP-1042294-B1 | HETEROCYCLIC CYTOTOXIC AGENTS | UNIV RUTGERS (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6740650-B2 | SUCH AS 2,3-DIMETHOXY-DIBENZO(C,H)CINNOLINE FOR TREATMENT OF CANCER; FUNGICIDES | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2004-05-25 | — | — | US | disclosed |
| US-20030100560-A1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2003-05-29 | — | — | US | disclosed |
| US-6486167-B1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2002-11-26 | — | — | US | disclosed |
| EP-1228045-A2 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001032631-A2 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JEREY (US) | 2001-05-10 | — | — | WO | disclosed |
| EP-1042294-A1 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031067-A1 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1999-06-24 | — | — | WO | disclosed |