⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28480131 | 0.96 | TSHR (0.47) | — | |
| SCHEMBL1614889 | 0.92 | TSHR (0.50) | — | |
| SCHEMBL12868902 | 0.82 | — | — | |
| SCHEMBL13091478 | 0.82 | — | — | |
| SCHEMBL17068990 | 0.82 | — | — | |
| SCHEMBL12329986 | 0.82 | — | — | |
| SCHEMBL17068991 | 0.82 | — | — | |
| SCHEMBL14297607 | 0.82 | — | — | |
| SCHEMBL1614441 | 0.82 | TSHR (0.41) | — | |
| SCHEMBL8370907 | 0.82 | — | — |
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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240368189-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators | VERTEX PHARMA (US) | 2024-11-07 | — | — | US | disclosed |
| US-11976061-B2 | Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors | Merck Sharp & Dohme, LLC (US) | 2024-05-07 | — | — | US | disclosed |
| US-11866450-B2 | Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2024-01-09 | — | — | US | disclosed |
| CN-117285547-A | Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation | 弗特克斯药品有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-112004817-B | Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation | 弗特克斯药品有限公司 | 2023-06-23 | — | — | CN | disclosed |
| EP-4198037-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2023-06-21 | — | — | EP | disclosed |
| EP-3752510-B1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMA (US) | 2022-12-07 | — | — | EP | disclosed |
| US-20220106331-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators | VERTEX PHARMACEUTICALS INCORPORATED | 2022-04-07 | — | — | US | disclosed |
| WO-2022034874-A1 | PREPARATION OR COMPOSITION CONTAINING ASCORBIC ACID COMPOUND AND METHOD FOR STABILIZING ASCORBIC ACID COMPOUND | ミヨシ油脂株式会社 | 2022-02-17 | — | — | WO | disclosed |
| US-11117892-B2 | Pyrrolo-pyridine derivative compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of protein kinase-related diseases | DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION | 2021-09-14 | — | — | US | disclosed |
| US-20070265263-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | CAO JINGRONG | 2007-11-15 | — | — | US | disclosed |
| US-20070232636-A1 | Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-04 | — | — | US | disclosed |
| US-20070203183-A1 | Diaryl piperidines as CB1 modulators | SCHERING CORPORATION | 2007-08-30 | — | — | US | disclosed |
| US-7253187-B2 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-07 | — | — | US | disclosed |
| US-7253187-B2 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-07 | — | — | US | disclosed |
| US-20070161685-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-07-12 | — | — | US | disclosed |
| US-20070161685-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-07-12 | — | — | US | disclosed |
| US-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-14 | — | — | US | disclosed |
| WO-2007062314-A2 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |