⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL597404 | 0.67 | — | — | |
| SCHEMBL18725064 | 0.64 | HTT (0.58) | — | |
| SCHEMBL255119 | 0.63 | — | — | |
| SCHEMBL11221648 | 0.62 | — | — | |
| SCHEMBL2551980 | 0.62 | KMT2A (0.40) | — | |
| SCHEMBL11918295 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL14762382 | 0.61 | DRD2 (0.46) | — | |
| SCHEMBL293669 | 0.60 | — | — | |
| SCHEMBL197523 | 0.59 | MAPT (1.00) | — | |
| SCHEMBL10991854 | 0.59 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017189868-A1 | SERINE REPLACEMENT POLYMYXIN ANALOGUES USEFUL AS ANTIBIOTIC POTENTIATORS | SPERO OPCO (US) | 2017-11-02 | — | — | WO | claimed |
| WO-2016112088-A1 | ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS | SPERO THERAPEUTICS, INC. (US) | 2016-07-14 | — | — | WO | claimed |
| US-9221835-B2 | Spirocyclic derivatives as antiparasitic agents | ZOETIS SERVICES LLC (US) | 2015-12-29 | — | — | US | claimed |
| EP-3122741-B1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2018-06-06 | — | — | EP | disclosed |
| US-9951063-B2 | 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-isoquinoline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2018-04-24 | — | — | US | disclosed |
| WO-2017189868-A1 | SERINE REPLACEMENT POLYMYXIN ANALOGUES USEFUL AS ANTIBIOTIC POTENTIATORS | SPERO OPCO (US) | 2017-11-02 | — | — | WO | disclosed |
| EP-2999338-B1 | KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2017-07-12 | — | — | EP | disclosed |
| US-20170107214-A1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2017-04-20 | — | — | US | disclosed |
| EP-3122741-A1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | Actelion Pharmaceuticals Ltd (CH) | 2017-02-01 | — | — | EP | disclosed |
| WO-2016112088-A1 | ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS | SPERO THERAPEUTICS, INC. (US) | 2016-07-14 | — | — | WO | disclosed |
| US-20160106102-A1 | KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-04-21 | — | — | 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 |
| 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-2287161-A1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders | Otsuka Pharmaceutical Co., Limited (JP) | 2011-02-23 | — | — | EP | disclosed |
| EP-1919907-B1 | HETEROCYCLIC COMPOUND | OTSUKA PHARMA 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-20100304966-A1 | Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same | BASF SE (DE) | 2010-12-02 | — | — | US | disclosed |
| US-20090264404-A1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-10-22 | — | — | US | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4402727-A | Substituted azolylalkyl phenoxyphenoxyalkane-carboxylates as herbicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1983-09-06 | — | — | US | disclosed |