⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24225 | 0.78 | — | — | |
| Bromide SCHEMBL15746787 | 0.76 | — | — | |
| SCHEMBL28357962 | 0.76 | — | — | |
| SCHEMBL29245410 | 0.76 | HCAR2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL29735986 | 0.76 | — | — | |
| Bromide SCHEMBL5328785 | 0.76 | HCAR2 (0.50) | — | |
| SCHEMBL29735836 | 0.76 | — | — | |
| SCHEMBL2645993 | 0.74 | — | — | |
| SCHEMBL28357955 | 0.72 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL11207317 | 0.71 | HCAR2 (0.46) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230257362-A1 | TRIAZOLONE COMPOUND | MEDSHINE DISCOVERY INC. (CN) | 2023-08-17 | — | — | US | disclosed |
| WO-2019156439-A1 | COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2019-08-15 | — | — | WO | disclosed |
| EP-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |
| EP-2467382-B1 | AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2012125746-A1 | TRICYCLIC GYRASE INHIBITORS | TRIUS THERAPEUTICS INC. (US) | 2012-09-20 | — | — | WO | disclosed |
| US-8168641-B2 | Aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-01 | — | — | US | disclosed |
| EP-2090570-B1 | IMIDAZOLE DERIVATIVE | KYOWA HAKKO KIRIN CO LTD (JP) | 2011-11-09 | — | — | EP | disclosed |
| EP-2147003-B1 | PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS | GLUMETRICS INC (US) | 2011-04-20 | — | — | EP | disclosed |
| EP-1807421-B1 | 2-AMIDO-4-PHENYLTHIAZOLE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF | SANOFI AVENTIS (FR) | 2011-03-16 | — | — | EP | disclosed |
| EP-1799627-B1 | IRON OR COBALT-CATALYZED CARBON-CARBON COUPLING REACTION OF ARYLS, ALKENES AND ALKINES WITH COPPER REAGENTS | SALTIGO GMBH (DE) | 2010-05-05 | — | — | EP | disclosed |
| WO-2008091681-A2 | THERAMUTEIN MODULATORS | HOUSEY GERARD M (US) | 2008-07-31 | — | — | WO | disclosed |
| US-5618807-A | Method for preparing 17-substituted steroids useful in cancer treatment | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-04-08 | — | — | US | disclosed |
| US-5604213-A | STEROID DEPENDENT CANCERS SUCH AS PROSTATE AND BREAST CANCER | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-02-18 | — | — | US | disclosed |