⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5410433 | 0.70 | — | — | |
| SCHEMBL348944 | 0.70 | — | — | |
| SCHEMBL7639055 | 0.67 | — | — | |
| SCHEMBL10204018 | 0.67 | — | — | |
| Iodide SCHEMBL1904298 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3767220 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL10826898 | 0.67 | — | — | |
| SCHEMBL23416456 | 0.64 | — | — | |
| SCHEMBL13255298 | 0.64 | — | — | |
| SCHEMBL14557561 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017027967-A1 | INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF | UNIVERSITY HEALTH NETWORK (CA) | 2017-02-23 | — | — | WO | disclosed |
| US-20160361332-A1 | HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS | GLYCOMIMETICS INC (US) | 2016-12-15 | — | — | US | disclosed |
| US-9486497-B2 | Treatment of immunocompromised conditions | THE UNIVERSITY OF QUEENSLAND (AU) | 2016-11-08 | — | — | US | disclosed |
| US-20160193294-A1 | COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR | THE UNIVERSITY OF QUEENSLAND (AU) | 2016-07-07 | — | — | US | disclosed |
| US-9206173-B2 | Heterocyclic compounds for the treatment of stress-related conditions | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-12-08 | — | — | US | disclosed |
| US-9000012-B2 | Fungicide hydroximoyl-heterocycles derivatives | BAYER CROPSCIENCE AG (DE) | 2015-04-07 | — | — | US | disclosed |
| US-20140178303-A1 | HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS | GLYCOMIMETICS, INC. (US) | 2014-06-26 | — | — | US | disclosed |
| US-RE44778-E1 | Heterobifunctional pan-selectin inhibitors | GLYCOMIMETICS, INC. (US) | 2014-02-25 | — | — | US | disclosed |
| US-8633303-B2 | Heterobifunctional pan-selectin inhibitors | GLYCOMIMETICS, INC. (US) | 2014-01-21 | — | — | US | disclosed |
| US-20130184229-A1 | HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS | GLYCOMIMETICS, INC. (US) | 2013-07-18 | — | — | US | disclosed |
| US-8410066-B2 | Heterobifunctional inhibitors of E-selectins and CXCR4 chemokine receptors | GLYCOMIMETICS, INC. (US) | 2013-04-02 | — | — | US | disclosed |
| US-20130040993-A1 | FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2013-02-14 | — | — | US | disclosed |
| WO-2006040625-A1 | NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION | GLENMARK PHARMACEUTICALS S.A. (US) | 2006-04-20 | — | — | WO | disclosed |