⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9938562 | 0.97 | TSHR (0.43) | — | |
| SCHEMBL10521802 | 0.95 | TSHR (0.42) | — | |
| SCHEMBL27697820 | 0.91 | TSHR (0.39) | — | |
| SCHEMBL3643770 | 0.77 | — | — | |
| SCHEMBL4399425 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL27975909 | 0.76 | — | — | |
| SCHEMBL9540711 | 0.72 | — | — | |
| SCHEMBL4556035 | 0.70 | — | — | |
| SCHEMBL29780793 | 0.70 | TSHR (0.38) | — | |
| Carbamic Acid SCHEMBL29047215 | 0.70 | ALOX15 (0.55) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250059160-A1 | Chemical Activators of Nicotinamide Mononucleotide adenylyltransferase 2 (NMNAT2) and Uses Thereof | TSINGHUA UNIVERSITY (CN) | 2025-02-20 | — | — | US | disclosed |
| CN-115197126-A | Novel NMNAT enzyme agonist and preparation and application thereof | 清华大学 | 2022-10-18 | — | — | CN | disclosed |
| WO-2020107221-A1 | CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF | TSINGHUA UNIVERSITY (CN) | 2020-06-04 | — | — | WO | disclosed |
| EP-3287442-A1 | THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER | Richardson, Des R (AU) | 2018-02-28 | — | — | EP | disclosed |
| EP-2651894-B1 | THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER | RICHARDSON DES R (AU) | 2017-08-23 | — | — | EP | disclosed |
| CN-103370308-B | Thiosemicarbazone compounds and use in cancer treatment | R RICHARDSON DES | 2015-06-17 | — | — | CN | disclosed |
| US-8927580-B2 | Thiosemicarbazone compounds and use in the treatment of cancer | Oncochel Therapeutics LLC (US) | 2015-01-06 | — | — | US | disclosed |
| US-20140206725-A1 | THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER | ONCOCHEL THERAPEUTICS, LLC | 2014-07-24 | — | — | US | disclosed |
| EP-2651894-A1 | THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER | Richardson, Des R (AU) | 2013-10-23 | — | — | EP | disclosed |
| CN-103370308-A | Thiosemicarbazone compounds and use in cancer treatment | RICHARDSON DES R | 2013-10-23 | — | — | CN | disclosed |
| WO-2012079128-A1 | THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER | RICHARDSON DES R (AU) | 2012-06-21 | — | — | WO | disclosed |