⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1503 | 0.71 | — | — | |
| SCHEMBL30404482 | 0.69 | — | — | |
| SCHEMBL29150915 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL28254978 | 0.69 | — | — | |
| SCHEMBL28959328 | 0.69 | HCAR2 (0.44) | — | |
| SCHEMBL28852463 | 0.69 | HCAR2 (0.44) | — | |
| Potassium SCHEMBL30471622 | 0.69 | — | — | |
| SCHEMBL30802139 | 0.69 | — | — | |
| Methane SCHEMBL28055339 | 0.69 | — | — | |
| SCHEMBL28068910 | 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| EP-2552918-B1 | N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS | HOFFMANN LA ROCHE (CH) | 2014-06-11 | — | — | EP | 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-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-8410117-B2 | Imidazopyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-04-02 | — | — | US | disclosed |
| CN-102850336-A | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMA CO LTD | 2013-01-02 | — | — | CN | disclosed |
| CN-102702182-A | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders | OTSUKA PHARMA CO LTD | 2012-10-03 | — | — | CN | disclosed |
| CN-102558140-A | Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders | OTSUKA PHARMA CO LTD | 2012-07-11 | — | — | CN | 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 |
| 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 |
| EP-1654232-A1 | SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES | Merck & Co., Inc. (a New Jersey corp.) (US) | 2006-05-10 | — | — | EP | disclosed |
| EP-1545538-A2 | N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | disclosed |
| EP-1476419-A4 | N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES | MERCK & CO INC (US) | 2005-03-30 | — | — | EP | disclosed |
| WO-2005016886-A1 | SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES | MERCK & CO., INC. (US) | 2005-02-24 | — | — | WO | disclosed |
| EP-1501787-A1 | N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS | Merck & Co., Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| EP-1476419-A2 | N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES | Merck & Co., Inc. (US) | 2004-11-17 | — | — | EP | disclosed |
| WO-2004019868-A2 | N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 2004-03-11 | — | — | WO | disclosed |
| WO-2003065789-A2 | N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 2003-08-14 | — | — | WO | disclosed |
| WO-2003066577-A1 | N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS | MERCK & CO., INC. (US) | 2003-08-14 | — | — | WO | disclosed |