⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL131442 | 0.77 | — | — | |
| SCHEMBL127165 | 0.77 | — | — | |
| SCHEMBL8535518 | 0.75 | — | — | |
| SCHEMBL8486139 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL208586 | 0.73 | — | — | |
| SCHEMBL8987559 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL126725 | 0.73 | ADRB2 (0.36) | — | |
| SCHEMBL3649904 | 0.71 | — | — | |
| SCHEMBL95402 | 0.71 | — | — | |
| SCHEMBL27752639 | 0.71 | — | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-8598162-B2 | Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-12-03 | — | — | US | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-2287161-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-05-09 | — | — | EP | disclosed |
| EP-2287162-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-05-09 | — | — | EP | disclosed |
| EP-2284169-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-03-14 | — | — | EP | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20120028920-A1 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. | 2012-02-02 | — | — | US | disclosed |
| EP-1919907-B9 | HETEROCYCLIC COMPOUND | OTSUKA PHARMA CO LTD (JP) | 2012-01-18 | — | — | EP | 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 |
| EP-1060183-B1 | 5'-DEOXYCYTIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-6437118-B1 | REACTING 4-AMINO-1H-PYRMIDIN-2-ONE WITH VINYL BORANE IN PRESENCE OF PALLADIUM COMPLEX AND BASE | HOFFMANN-LA ROCHE INC. | 2002-08-20 | — | — | US | disclosed |
| EP-1060183-A1 | 5'-DEOXYCYTIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-20 | — | — | EP | disclosed |
| EP-1057831-A2 | Process for the preparation of vinyl pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-06 | — | — | EP | disclosed |
| US-6005098-A | 5'deoxycytidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1999-12-21 | — | — | US | disclosed |
| WO-1999040099-A1 | 5'-DEOXYCYTIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-08-12 | — | — | WO | disclosed |
| US-5889012-A | INSECTICIDE, ACARICIDES, FUNGICIDES | HOECHST-SCHERING AGREVO GMBH (DE) | 1999-03-30 | — | — | US | disclosed |
| EP-0365678-A1 | 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1990-05-02 | — | — | EP | disclosed |
| EP-0004335-A2 | Prostacyclin analogs, process and intermediates for their preparation and their use as medicines | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-10-03 | — | — | EP | disclosed |
| EP-0001270-A1 | Analogues of prostacycline, methods for their preparation and their use in the treatment of circulatory diseases | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-04-04 | — | — | EP | disclosed |