⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13378745 | 0.94 | — | — | |
| SCHEMBL22483057 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL26984763 | 0.88 | — | — | |
| SCHEMBL17971807 | 0.81 | — | — | |
| SCHEMBL14231468 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL13762475 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL22447816 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL20869320 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL1555768 | 0.79 | — | — | |
| SCHEMBL537100 | 0.79 | ALDH1A1 (0.32) | — |
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-11072626-B2 | Small molecule inhibitors of Galectin-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-07-27 | — | — | US | claimed |
| US-20200308213-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL MYERS SQUIBB CO (US) | 2020-10-01 | — | — | US | claimed |
| WO-2019075045-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-04-18 | — | — | WO | claimed |
| US-20250213555-A1 | SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2025-07-03 | — | — | US | disclosed |
| US-20240316020-A1 | Novel Pyridine Compounds | ANGELINI PHARMA S.P.A. (IT) | 2024-09-26 | — | — | US | disclosed |
| EP-3894410-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2023-10-11 | — | — | EP | disclosed |
| US-11198696-B2 | Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-12-14 | — | — | US | disclosed |
| EP-3894410-A1 | SUBSTITUTED XANTHINE DERIVATIVES | Boehringer Ingelheim International GmbH (DE) | 2021-10-20 | — | — | EP | disclosed |
| US-11072626-B2 | Small molecule inhibitors of Galectin-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-07-27 | — | — | US | disclosed |
| US-20200308213-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL MYERS SQUIBB CO (US) | 2020-10-01 | — | — | US | disclosed |
| WO-2020120450-A1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-18 | — | — | WO | disclosed |
| US-20200190093-A1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-18 | — | — | US | disclosed |
| WO-2019075045-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-04-18 | — | — | WO | disclosed |