⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL131801 | 0.78 | HCAR2 (0.46) | — | |
| SCHEMBL5451266 | 0.78 | HCAR2 (0.37) | — | |
| SCHEMBL128591 | 0.76 | HCAR2 (0.45) | — | |
| SCHEMBL130825 | 0.76 | HCAR2 (0.40) | — | |
| SCHEMBL15710955 | 0.76 | HCAR2 (0.52) | — | |
| SCHEMBL14552889 | 0.76 | HCAR2 (0.52) | — | |
| SCHEMBL128626 | 0.76 | TSHR (0.59) | — | |
| SCHEMBL18294832 | 0.76 | HCAR2 (0.52) | — | |
| SCHEMBL23000929 | 0.75 | CA1 (0.35) | — | |
| SCHEMBL127982 | 0.73 | HCAR2 (0.48) | — |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7834000-B2 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-16 | — | — | US | claimed |
| CN-101501009-A | CGRP receptor antagonists | VERTEX PHARMA (US) | 2009-08-05 | — | — | CN | claimed |
| EP-2027106-A2 | CGRP RECEPTOR ANTAGONISTS | Vertex Pharmaceuticals Incorporated (US) | 2009-02-25 | — | — | EP | claimed |
| US-20080004261-A1 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-03 | — | — | US | claimed |
| WO-2007146349-A2 | CGRP RECEPTOR ANTAGONISTS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-12-21 | — | — | WO | claimed |
| EP-3558976-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | disclosed |
| WO-2018114663-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | disclosed |
| US-9708292-B2 | Cyanopyrimidine derivative | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2017-07-18 | — | — | 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-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 |
| US-5554581-A | Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1996-09-10 | — | — | US | disclosed |
| US-5506190-A | Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1996-04-09 | — | — | US | disclosed |
| EP-0655992-A1 | FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-06-07 | — | — | EP | disclosed |
| EP-0635485-A1 | TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1995-01-25 | — | — | EP | disclosed |
| WO-1995000468-A1 | FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-01-05 | — | — | WO | disclosed |
| CN-1084847-A | Tetrahydrochysene butyl benzene orthobenzol diacid amide derivative and its preparation intermediate and manufacture method thereof and with its weedicide as effective constituent | SAGAMI CHEM RES (JP) | 1994-04-06 | — | — | CN | disclosed |
| CN-1057269-A | Peptide compounds and preparation thereof | FUJISAWA PHARMACEUTICAL CO (JP) | 1991-12-25 | — | — | CN | disclosed |
| US-4614770-A | HYDROCYANATION OF CARBONYL, THIOCARBONYL OR IMINO GROUPS; POLYMERS BEARING PYRIDINE-NUCLEUS RING SUBSTITUTED BY CARBOXAMIDE GROUPS | ALLIED CORPORATION (US) | 1986-09-30 | — | — | US | disclosed |