⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11929995 | 0.67 | — | — | |
| SCHEMBL10265897 | 0.67 | — | — | |
| SCHEMBL2793660 | 0.67 | — | — | |
| SCHEMBL1606546 | 0.67 | — | — | |
| SCHEMBL11290876 | 0.67 | — | — | |
| SCHEMBL18676082 | 0.63 | — | — | |
| SCHEMBL7778477 | 0.62 | — | — | |
| SCHEMBL7603522 | 0.62 | — | — | |
| SCHEMBL10618111 | 0.61 | — | — | |
| SCHEMBL14907240 | 0.60 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5852029-A | Aza spiro compounds acting on the cholinergic system with muscarinic agonist activity | ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) | 1998-12-22 | — | — | US | claimed |
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| WO-2020254408-A1 | PYRIDIN-3-YL DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2020-12-24 | — | — | WO | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |
| EP-2144503-B9 | 4-(octahydro-2H-isoindol-2-yl)-1,3-oxazol-4-one as TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-09-04 | — | — | EP | disclosed |
| US-20120070409-A1 | TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-03-22 | — | — | US | disclosed |
| US-8124633-B2 | Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2012-02-28 | — | — | US | disclosed |
| US-20120020920-A1 | 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-01-26 | — | — | US | disclosed |
| US-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | US | disclosed |
| US-20100197724-A1 | 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS | BAO JIANMING | 2010-08-05 | — | — | US | disclosed |
| US-20100105747-A1 | HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) | 2010-04-29 | — | — | US | disclosed |
| WO-2010032856-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | 武田薬品工業株式会社 (JP) | 2010-03-25 | — | — | WO | disclosed |
| US-7659263-B2 | Thienopyrrole compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2010-02-09 | — | — | US | disclosed |
| US-20090036444-A1 | 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2009-02-05 | — | — | US | disclosed |
| WO-2008124143-A1 | HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-10-16 | — | — | WO | disclosed |
| US-20070049593-A1 | Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2007-03-01 | — | — | US | disclosed |
| US-7176199-B2 | Aryl-substituted alicyclic compound and medical composition comprising the same | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2007-02-13 | — | — | US | disclosed |
| US-7176199-B2 | Aryl-substituted alicyclic compound and medical composition comprising the same | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2007-02-13 | — | — | US | disclosed |
| US-20070032497-A1 | Fused-ring compounds and use thereof as drugs | JAPAN TOBACCO INC. (JP) | 2007-02-08 | — | — | US | disclosed |