⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL30336616 | 1.00 | — | — | |
| Trimethylammonium SCHEMBL5310222 | 0.89 | — | — | |
| Trimethylammonium SCHEMBL13989274 | 0.89 | — | — | |
| Trimethylammonium SCHEMBL284438 | 0.89 | — | — | |
| Trimethylammonium SCHEMBL1331060 | 0.89 | — | — | |
| Trimethylammonium SCHEMBL5582 | 0.89 | — | — | |
| Trimethylammonium SCHEMBL23064767 | 0.80 | — | — | |
| Trimethylammonium SCHEMBL7795637 | 0.80 | — | — | |
| Trimethylammonium SCHEMBL11322687 | 0.80 | — | — | |
| Trimethylammonium SCHEMBL5423733 | 0.80 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9849109-B2 | Autotaxin inhibitors and uses thereof | AMIRA PHARMACEUTICALS, INC. (US) | 2017-12-26 | — | — | US | disclosed |
| EP-2606031-B1 | AUTOTAXIN INHIBITORS AND USES THEREOF | AMIRA PHARMACEUTICALS INC (US) | 2017-09-27 | — | — | EP | disclosed |
| US-20150164861-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | AMIRA PHARMACEUTICALS, INC. (US) | 2015-06-18 | — | — | US | disclosed |
| US-9000025-B2 | Autotaxin inhibitors and uses thereof | AMIRA PHARMACEUTICALS, INC. (US) | 2015-04-07 | — | — | US | disclosed |
| EP-2606031-A2 | AUTOTAXIN INHIBITORS AND USES THEREOF | Amira Pharmaceuticals, Inc. (US) | 2013-06-26 | — | — | EP | disclosed |
| US-20130150326-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | AMIRA PHARMACEUTICALS, INC. (US) | 2013-06-13 | — | — | US | disclosed |
| US-8268855-B2 | 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-09-18 | — | — | US | disclosed |
| WO-2012024620-A2 | AUTOTAXIN INHIBITORS AND USES THEREOF | AMIRA PHARMACEUTICALS, INC. (US) | 2012-02-23 | — | — | WO | disclosed |
| US-20100210629-A1 | 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-19 | — | — | US | disclosed |
| US-7737279-B2 | 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-06-15 | — | — | US | disclosed |
| EP-1888584-B1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2010-04-21 | — | — | EP | disclosed |
| EP-1888584-A1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | Brystol-Myers Squibb Company (US) | 2008-02-20 | — | — | EP | disclosed |
| US-20060270654-A1 | 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY | 2006-11-30 | — | — | US | disclosed |
| WO-2006122137-A1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-16 | — | — | WO | disclosed |