⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18888615 | 0.72 | SLC6A3 (0.38) | — | |
| SCHEMBL1485919 | 0.70 | — | — | |
| SCHEMBL1703794 | 0.70 | — | — | |
| SCHEMBL14699708 | 0.69 | — | — | |
| SCHEMBL16378353 | 0.67 | — | — | |
| SCHEMBL3668918 | 0.65 | — | — | |
| SCHEMBL14654279 | 0.65 | — | — | |
| SCHEMBL1485757 | 0.65 | — | — | |
| SCHEMBL1485718 | 0.63 | — | — | |
| SCHEMBL1703215 | 0.63 | ALDH1A1 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3389783-B1 | NOVEL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2024-07-03 | — | — | EP | disclosed |
| EP-3226688-B1 | TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME (US) | 2020-07-01 | — | — | EP | disclosed |
| EP-3226690-B1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME (US) | 2020-05-20 | — | — | EP | disclosed |
| EP-3052099-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2019-08-21 | — | — | EP | disclosed |
| EP-2563123-B1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2018-04-25 | — | — | EP | disclosed |
| EP-2595483-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |