⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL839618 | 0.78 | CHRNA7 (0.31) | — | |
| SCHEMBL1109602 | 0.76 | LMNA (0.41) | — | |
| SCHEMBL10226100 | 0.76 | PTPN1 (0.35) | — | |
| SCHEMBL12546071 | 0.73 | KDM4E (0.36) | — | |
| SCHEMBL1116185 | 0.73 | PTPN1 (0.33) | — | |
| SCHEMBL10287122 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL24819627 | 0.70 | — | — | |
| SCHEMBL840146 | 0.65 | KDM4E (0.41) | — | |
| SCHEMBL22267836 | 0.64 | EGFR (0.35) | — | |
| SCHEMBL23381120 | 0.63 | CYP2D6 (0.35) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11730720-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-08-22 | — | — | US | disclosed |
| WO-2019228403-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | FRONTHERA U.S. PHARMACEUTICALS LLC (US) | 2019-12-05 | — | — | WO | disclosed |
| US-20120142687-A1 | INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY | KUGIMIYA AKIRA (JP) | 2012-06-07 | — | — | US | disclosed |
| US-8153793-B2 | Sulfonamide derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-7994167-B2 | Pentafluorosulphanyl-substituted compound and its use for producing medicaments | GRUENENTHAL GMBH (DE) | 2011-08-09 | — | — | US | disclosed |
| US-7956082-B2 | Indole derivative having PGD2 receptor antagonist activity | SHIONOGI & CO., LTD (JP) | 2011-06-07 | — | — | US | disclosed |
| US-20090137594-A1 | Pentafluorosulphanyl-Substituted Compound And Its Use For Producing Medicaments | GRUENENTHAL GMGH (DE) | 2009-05-28 | — | — | US | disclosed |
| US-20090030014-A1 | Indole Derivative Having Pgd2 Receptor Antagonist Activity | SHIONOGI & CO., LTD. (JP) | 2009-01-29 | — | — | US | disclosed |