⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7298048 | 0.76 | — | — | |
| SCHEMBL12588958 | 0.67 | — | — | |
| SCHEMBL11722436 | 0.67 | — | — | |
| SCHEMBL11722447 | 0.67 | — | — | |
| SCHEMBL9935782 | 0.60 | — | — | |
| SCHEMBL27472571 | 0.60 | INMT (0.39) | — | |
| Acetone SCHEMBL18740714 | 0.59 | — | — | |
| Water SCHEMBL5807420 | 0.58 | INMT (0.37) | — | |
| Water SCHEMBL28164959 | 0.58 | — | — | |
| SCHEMBL8418185 | 0.58 | — | — |
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-3389657-A1 | METHODS OF TREATING HYPERALGESIA | Trevena, Inc. (US) | 2018-10-24 | — | — | EP | disclosed |
| EP-3389656-A1 | COMBINATIONS OF OPIOID RECEPTOR LIGANDS AND CYTOCHROME P450 INHIBITORS | Trevena, Inc. (US) | 2018-10-24 | — | — | EP | disclosed |
| WO-2018183936-A1 | COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS | THE BROAD INSTITUTE, INC. (US) | 2018-10-04 | — | — | WO | disclosed |
| US-20170326124-A1 | Opioid Receptor Ligands And Methods Of Using And Making Same | TREVENA, INC. | 2017-11-16 | — | — | US | disclosed |
| WO-2017106306-A1 | METHODS OF TREATING HYPERALGESIA | TREVENA, INC. (US) | 2017-06-22 | — | — | WO | disclosed |
| WO-2017106547-A1 | COMBINATIONS OF OPIOID RECEPTOR LIGANDS AND CYTOCHROME P450 INHIBITORS | TREVENA, INC. (US) | 2017-06-22 | — | — | WO | disclosed |
| EP-2688403-A1 | OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME | Trevena, Inc. (US) | 2014-01-29 | — | — | EP | disclosed |
| WO-2012129495-A1 | OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME | TREVENA, INC. (US) | 2012-09-27 | — | — | WO | disclosed |
| EP-1663971-A1 | SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS | Eli Lilly and Company (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-1626958-A1 | (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS | ELI LILLY AND COMPANY (US) | 2006-02-22 | — | — | EP | disclosed |
| WO-2005035499-A1 | SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2005-04-21 | — | — | WO | disclosed |
| WO-2004094380-A1 | (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |