⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25754164 | 0.86 | CA2 (0.43) | — | |
| SCHEMBL6874674 | 0.86 | CA2 (0.43) | — | |
| SCHEMBL28305103 | 0.82 | S1PR2 (0.52) | — | |
| SCHEMBL1561204 | 0.82 | S1PR2 (0.52) | — | |
| SCHEMBL13675239 | 0.82 | S1PR2 (0.52) | — | |
| SCHEMBL3432132 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL14321364 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL1114997 | 0.80 | — | — | |
| SCHEMBL2633039 | 0.80 | — | — | |
| SCHEMBL4936727 | 0.80 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024107393-A1 | TRICYCLIC COMPOUNDS | SCHRÖDINGER, INC. (US) | 2024-05-23 | — | — | WO | disclosed |
| US-20140349987-A1 | PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES | PHENEX PHARMACEUTICALS AG (DE) | 2014-11-27 | — | — | US | disclosed |
| US-8119364-B2 | Methods for generating analogs of coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-02-21 | — | — | US | disclosed |
| EP-2272897-A1 | COPOLYMER INCLUDING UNCHARGED HYDROPHILIC BLOCK AND CATIONIC POLYAMINO ACID BLOCK HAVING LATERAL CHAIN TO WHICH HYDROPHOBIC RADICAL IS PARTIALLY INTRODUCED, AND USE OF COPOLYMER | The University of Tokyo (JP) | 2011-01-12 | — | — | EP | disclosed |
| US-20100304430-A1 | Methods for Generating Analogs of Coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-12-02 | — | — | US | disclosed |
| US-7727738-B2 | Methods for generating analogs of coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-06-01 | — | — | US | disclosed |
| US-20070128683-A1 | Metabolic delivery of coenzyme A analogs | NATIONAL SCIENCE FOUNDATION | 2007-06-07 | — | — | US | disclosed |