⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5660848 | 0.66 | — | — | |
| SCHEMBL5240397 | 0.66 | — | — | |
| SCHEMBL28047878 | 0.66 | — | — | |
| SCHEMBL2202744 | 0.62 | — | — | |
| SCHEMBL27882958 | 0.61 | — | — | |
| SCHEMBL27446512 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL5484701 | 0.58 | POLB (0.46) | — | |
| SCHEMBL15161167 | 0.58 | — | — | |
| SCHEMBL1460611 | 0.55 | — | — | |
| SCHEMBL5158 | 0.54 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122347-B1 | CELASTROL DERIVATIVES FOR THE TREATMENT OF OBESITY | CHILDRENS MEDICAL CT CORP (US) | 2020-06-03 | — | — | EP | disclosed |
| US-20180194709-A1 | COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF | THE CHILDREN'S MEDICAL CENTER CORPORATION | 2018-07-12 | — | — | US | disclosed |
| EP-3122347-A1 | CELASTROL AND DERIVATIVES FOR THE TREATMENT OF OBESITY | The Children's Medical Center Corporation (US) | 2017-02-01 | — | — | EP | disclosed |
| US-20150274634-A1 | COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF | THE CHILDREN'S MEDICAL CENTER CORPORATION | 2015-10-01 | — | — | US | disclosed |
| WO-2015148802-A1 | CELASTROL AND DERIVATIVES FOR THE TREATMENT OF OBESITY | THE CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2015-10-01 | — | — | WO | disclosed |
| EP-2148871-A1 | QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS | Sanofi-Aventis (FR) | 2010-02-03 | — | — | EP | disclosed |
| WO-2008128647-A1 | QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | WO | disclosed |
| EP-1633746-A1 | NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS | Sanofi-Aventis Deutschland GmbH (DE) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004101554-A1 | NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2004-11-25 | — | — | WO | disclosed |