⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10103742 | 0.83 | TP53 (0.32) | — | |
| SCHEMBL24485533 | 0.77 | — | — | |
| SCHEMBL11969497 | 0.77 | — | — | |
| SCHEMBL14706765 | 0.73 | ALOX15 (0.36) | — | |
| SCHEMBL254079 | 0.73 | — | — | |
| SCHEMBL13293732 | 0.72 | — | — | |
| SCHEMBL21241747 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL14037711 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL4601098 | 0.69 | IDH1 (0.35) | — | |
| SCHEMBL11892890 | 0.69 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160304506-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS | LUPIN LIMITED (IN) | 2016-10-20 | — | — | US | disclosed |
| US-8937150-B2 | Anti-viral compounds | ABBVIE INC. (US) | 2015-01-20 | — | — | US | disclosed |
| US-8921514-B2 | Anti-viral compounds | ABBVIE INC. (US) | 2014-12-30 | — | — | US | disclosed |
| US-8835470-B2 | Mandelamide heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-20140031334-A1 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2014-01-30 | — | — | US | disclosed |
| US-20140031334-A1 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2014-01-30 | — | — | US | disclosed |
| US-8071600-B2 | Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-12-06 | — | — | US | disclosed |
| US-8071600-B2 | Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-12-06 | — | — | US | disclosed |
| US-7897776-B2 | Sulfonamide containing compounds for treatment of inflammatory disorders | SALUTRIA PHARMACEUTICALS LLC (US) | 2011-03-01 | — | — | US | disclosed |
| EP-2287162-A1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders | Otsuka Pharmaceutical Co., Ltd. (JP) | 2011-02-23 | — | — | EP | disclosed |
| EP-2284169-A1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | Otsuka Pharmaceutical Co., Limited (JP) | 2011-02-16 | — | — | EP | disclosed |
| US-20090270454-A1 | Sulfonamide containing compounds for treatment of inflammatory disorders | CRABTREE ACQUISITION CO, LLC | 2009-10-29 | — | — | US | disclosed |
| US-7589113-B2 | Substituted oxadiazole compounds and their use as opioid receptor ligands | GRUENENTHAL GMBH (DE) | 2009-09-15 | — | — | US | disclosed |
| US-20090005427-A1 | SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS | GRUENENTHAL GMBH (DE) | 2009-01-01 | — | — | US | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |