⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9090222 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30668276 | 0.98 | CCR5 (0.35) | — | |
| Hydrochloric Acid SCHEMBL26983434 | 0.98 | CCR5 (0.35) | — | |
| Hydrochloric Acid SCHEMBL1904168 | 0.98 | CCR5 (0.35) | — | |
| Hydrochloric Acid SCHEMBL29964779 | 0.98 | CCR5 (0.35) | — | |
| SCHEMBL9211243 | 0.86 | CHRNB2 (0.39) | — | |
| SCHEMBL1906035 | 0.86 | CHRNB2 (0.39) | — | |
| SCHEMBL7529457 | 0.86 | CHRNB2 (0.39) | — | |
| SCHEMBL9295659 | 0.86 | CHRNB2 (0.39) | — | |
| SCHEMBL8900807 | 0.85 | CA1 (0.40) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0359172-A1 | Azabicycloalkanes | SHIONOGI & CO., LTD. (JP) | 1990-03-21 | — | — | EP | claimed |
| EP-3356367-A1 | FUSED PYRAZOLE DERIVATIVES AS KINASE INHIBITORS | UCB Biopharma SPRL (BE) | 2018-08-08 | — | — | EP | disclosed |
| US-8669266-B2 | Quinoline-carboxamide derivatives as P2Y12 antagonists | SANOFI (FR) | 2014-03-11 | — | — | US | disclosed |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |
| US-20100135999-A1 | QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS | SANOFI-AVENTIS (FR) | 2010-06-03 | — | — | US | disclosed |
| EP-2148871-A1 | QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS | Sanofi-Aventis (FR) | 2010-02-03 | — | — | EP | disclosed |
| EP-2029537-A1 | BICYCLIC TETRAHYDROPYRROLE COMPOUNDS | Laboratorios del Dr. Esteve S.A. (ES) | 2009-03-04 | — | — | EP | disclosed |
| WO-2008128647-A1 | QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | WO | disclosed |
| WO-2007128459-A1 | BICYCLIC TETRAHYDROPYRROLE COMPOUNDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-11-15 | — | — | WO | disclosed |
| EP-1781663-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | Sanofi-Aventis Deutschland GmbH (DE) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006018280-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-02-23 | — | — | WO | disclosed |
| EP-0723545-B1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LAB (US) | 2002-05-08 | — | — | EP | disclosed |
| EP-0871628-A1 | QUINOLIZINONE TYPE COMPOUNDS | Abbott Laboratories (US) | 1998-10-21 | — | — | EP | disclosed |
| WO-1996039407-A1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LABORATORIES (US) | 1996-12-12 | — | — | WO | disclosed |
| US-5580872-A | ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS | ABBOTT LABORATORIES (US) | 1996-12-03 | — | — | US | disclosed |
| US-5541217-A | 4-arylcyclopenta[c]pyrrole analgesics | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0359172-A1 | Azabicycloalkanes | SHIONOGI & CO., LTD. (JP) | 1990-03-21 | — | — | EP | disclosed |