⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15313216 | 0.75 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL31202621 | 0.64 | — | — | |
| Bromoethane SCHEMBL701671 | 0.64 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL31202690 | 0.62 | — | — | |
| Propane SCHEMBL31613262 | 0.58 | — | — | |
| Propane SCHEMBL3139620 | 0.58 | — | — | |
| Propane SCHEMBL1332567 | 0.58 | — | — | |
| Bromoethane SCHEMBL703843 | 0.58 | — | — | |
| N-Propyl Bromide SCHEMBL795760 | 0.56 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL31202732 | 0.56 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3523277-B1 | SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS | ABBVIE OVERSEAS SARL (LU) | 2021-06-30 | — | — | EP | disclosed |
| US-20190315687-A1 | Substituted Pyrrolidines and Methods of Use | ABBVIE S.Á.R.L. (LU) | 2019-10-17 | — | — | US | disclosed |
| US-10399940-B2 | Substituted pyrrolidines and methods of use | ABBVIE S.Á.R.L. (LU) | 2019-09-03 | — | — | US | disclosed |
| US-20180099932-A1 | Substituted Pyrrolidines and Methods of Use | GALAPAGOS NV (BE) | 2018-04-12 | — | — | US | disclosed |
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |
| US-20110166170-A1 | SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-07-07 | — | — | US | disclosed |
| US-7902196-B2 | Synthesis of avrainvillamide, strephacidin B, and analogues thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-03-08 | — | — | US | disclosed |
| US-20090143581-A1 | SYNTHESIS OF AVRAINVILLAMIDE, STREPHACIDIN B, AND ANALOGUES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-06-04 | — | — | US | disclosed |
| EP-1863800-A2 | SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF | The President and Fellows of Harvard College (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006102097-A2 | SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-28 | — | — | WO | disclosed |