⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11631291 | 0.78 | ALDH1A1 (0.63) | — | |
| SCHEMBL13851785 | 0.74 | — | — | |
| SCHEMBL11277383 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL3248203 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL11339198 | 0.70 | ALDH1A1 (0.73) | — | |
| SCHEMBL25422152 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL11345122 | 0.69 | ALDH1A1 (0.49) | — | |
| SCHEMBL1885381 | 0.69 | POLB (0.65) | — | |
| SCHEMBL8404457 | 0.69 | — | — | |
| SCHEMBL11268817 | 0.69 | ALDH1A1 (0.45) | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4568746-B1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2026-04-29 | — | — | EP | disclosed |
| EP-4613749-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF | TransThera Sciences (Nanjing), Inc. (CN) | 2025-09-10 | — | — | EP | disclosed |
| EP-4590397-A1 | PCSK9 INHIBITORS AND METHODS OF USE THEREOF | Astrazeneca AB (SE) | 2025-07-30 | — | — | EP | disclosed |
| US-20250236617-A1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2025-07-24 | — | — | US | disclosed |
| EP-4568746-A1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2025-06-18 | — | — | EP | disclosed |
| US-20250152584-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF | TRANSTHERA SCIENCES (NANJING), INC. (CN) | 2025-05-15 | — | — | US | disclosed |
| CN-119798221-A | NLRP3 inflammation corpuscle inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2025-04-11 | — | — | CN | disclosed |
| CN-119768401-A | Bicyclic tetrahydrothiazepine derivatives | 豪夫迈·罗氏有限公司 | 2025-04-04 | — | — | CN | disclosed |
| WO-2025036275-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF | 药捷安康(南京)科技股份有限公司 | 2025-02-20 | — | — | WO | disclosed |
| CN-119462517-A | NLRP3 inflammation corpuscle inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2025-02-18 | — | — | CN | disclosed |
| US-20170044115-A1 | NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2017-02-16 | — | — | US | disclosed |
| CN-106349215-A | Amorphism of compound A benzoate, preparation method thereof, and amorphism-containing medicinal composition | 深圳信立泰药业股份有限公司 | 2017-01-25 | — | — | CN | disclosed |
| CN-106349216-A | Crystal form alpha of compound A, preparation method thereof, and medical composition comprising crystal form | 深圳信立泰药业股份有限公司 | 2017-01-25 | — | — | CN | disclosed |
| EP-2560963-B1 | PYRAZINE DERIVATIVES AS INHIBITORS OF THE ENZYME SCD-1 FOR THE TREATMENT OF CANCER DISEASES AND DIABETES | PF MEDICAMENT (FR) | 2016-10-05 | — | — | EP | disclosed |
| US-8962837-B2 | Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics | PIERRE FABRE MEDICAMENT (FR) | 2015-02-24 | — | — | US | disclosed |
| US-20130040928-A1 | NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS | PIERRE FABRE MEDICAMENT (FR) | 2013-02-14 | — | — | US | disclosed |
| US-8143251-B2 | Triazolotriazines as kinase inhibitors | INCYTE CORPORATION (US) | 2012-03-27 | — | — | US | disclosed |
| US-20110144113-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | INCYTE CORPORATION | 2011-06-16 | — | — | US | disclosed |
| US-7683060-B2 | Triazolotriazines as kinase inhibitors | INCYTE CORPORATION (US) | 2010-03-23 | — | — | US | disclosed |
| US-20080039457-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2008-02-14 | — | — | US | disclosed |