⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1663681 | 1.00 | — | — | |
| SCHEMBL2455796 | 1.00 | — | — | |
| SCHEMBL15330936 | 0.78 | — | — | |
| SCHEMBL3200924 | 0.78 | — | — | |
| SCHEMBL5010024 | 0.78 | — | — | |
| SCHEMBL1476768 | 0.78 | — | — | |
| SCHEMBL6597668 | 0.78 | — | — | |
| SCHEMBL18576616 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9143086 | 0.76 | EGLN1 (0.45) | — | |
| SCHEMBL27558661 | 0.76 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6756400-B2 | Sodium channel modulators | THERAVANCE, INC. | 2004-06-29 | — | — | US | claimed |
| US-20030027822-A1 | Sodium channel modulators | THERAVANCE BIOPHARMA R&D IP, LLC | 2003-02-06 | — | — | US | claimed |
| WO-2002018334-A2 | SODIUM CHANNEL MODULATORS | THERAVANCE, INC. (US) | 2002-03-07 | — | — | WO | claimed |
| EP-2306994-B1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC (US) | 2013-08-14 | — | — | EP | disclosed |
| EP-2306994-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | Amgen, Inc (US) | 2011-04-13 | — | — | EP | disclosed |
| US-7842685-B2 | S1P1 receptor agonists and use thereof | AMGEN INC. (US) | 2010-11-30 | — | — | US | disclosed |
| US-20100029611-A1 | S1P1 receptor agonists and use thereof | AMGEN INC. (US) | 2010-02-04 | — | — | US | disclosed |
| WO-2009154775-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | WO | disclosed |
| US-7183323-B2 | Diaromatic compound containing 2-amine groups, useful for treating neuropathic pain | THERAVANCE, INC. (US) | 2007-02-27 | — | — | US | disclosed |
| US-20040204460-A1 | Sodium channel modulators | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-10-14 | — | — | US | disclosed |
| US-6756400-B2 | Sodium channel modulators | THERAVANCE, INC. | 2004-06-29 | — | — | US | disclosed |
| US-20030027822-A1 | Sodium channel modulators | THERAVANCE BIOPHARMA R&D IP, LLC | 2003-02-06 | — | — | US | disclosed |
| WO-2002018334-A2 | SODIUM CHANNEL MODULATORS | THERAVANCE, INC. (US) | 2002-03-07 | — | — | WO | disclosed |