⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13958811 | 0.78 | — | — | |
| SCHEMBL22592221 | 0.75 | — | — | |
| SCHEMBL20690159 | 0.72 | — | — | |
| SCHEMBL22883546 | 0.71 | — | — | |
| SCHEMBL19069221 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL21509412 | 0.69 | — | — | |
| SCHEMBL1760662 | 0.69 | — | — | |
| SCHEMBL16038114 | 0.69 | — | — | |
| SCHEMBL27375820 | 0.67 | — | — | |
| SCHEMBL32682430 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4249076-A2 | (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR | Merck Sharp & Dohme B.V. (NL) | 2023-09-27 | — | — | EP | disclosed |
| EP-3458067-B1 | TREATMENT OF NEUROLOGICAL DISORDERS | PIQUR THERAPEUTICS AG (CH) | 2020-12-30 | — | — | EP | disclosed |
| WO-2019055966-A2 | PYRIDAZINONES AND METHODS OF USE THEREOF | GOLDFINCH BIO, INC. (US) | 2019-03-21 | — | — | WO | disclosed |
| EP-2650276-B1 | METHOD FOR PRODUCING BETA-FLUOROALCOHOL | CENTRAL GLASS CO LTD (JP) | 2017-01-25 | — | — | EP | disclosed |