⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23948105 | 1.00 | — | — | |
| SCHEMBL19362272 | 1.00 | — | — | |
| SCHEMBL8494551 | 0.82 | — | — | |
| SCHEMBL20850665 | 0.82 | — | — | |
| SCHEMBL2511403 | 0.78 | TDP1 (0.44) | — | |
| SCHEMBL19788207 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL22088567 | 0.75 | — | — | |
| SCHEMBL7162514 | 0.73 | HTR2A (0.40) | — | |
| SCHEMBL141055 | 0.73 | — | — | |
| SCHEMBL27306247 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022082071-A1 | SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF US THEREOF | CARTHRONIX, INC. (US) | 2022-04-21 | — | — | WO | disclosed |
| US-20210002254-A1 | MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF | Crinetics Pharmaceuticals, Inc. | 2021-01-07 | — | — | US | disclosed |
| US-20170204078-A1 | APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-07-20 | — | — | US | disclosed |
| EP-0915078-B1 | Process for producing di-tert-butyl dicarbonate | TOKUYAMA CORP (JP) | 2001-05-02 | — | — | EP | disclosed |
| US-6020514-A | Process for producing di-tert-butyl dicarbonate | TOKUYAMA CORPORATION (JP) | 2000-02-01 | — | — | US | disclosed |
| EP-0915078-A1 | Process for producing di-tert-butyl dicarbonate | TOKUYAMA CORPORATION (JP) | 1999-05-12 | — | — | EP | disclosed |
| EP-0676237-B1 | Modified ion exchange resins and use thereof | MITSUBISHI CHEM CORP (JP) | 1999-03-17 | — | — | EP | disclosed |
| US-5589517-A | N,N-DI-SUBSTITITUTED MERCAPTOALKYLAMINE SULFONIC ACID ION EXCHANGE RESIN AS CATALYST FOR CONDENSATION REACTION OF A PHENOL AND A KETONE TO PRODUCE A BISPHENOL | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0676237-A1 | Modified ion exchange resins and use thereof | MITSUBISHI CHEMICAL CORPORATION (JP) | 1995-10-11 | — | — | EP | disclosed |