⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18501457 | 1.00 | — | — | |
| SCHEMBL12621062 | 1.00 | — | — | |
| SCHEMBL1074839 | 1.00 | — | — | |
| SCHEMBL13153706 | 1.00 | — | — | |
| SCHEMBL19844674 | 1.00 | — | — | |
| SCHEMBL14472657 | 1.00 | — | — | |
| Sulfuric Acid SCHEMBL7932740 | 0.87 | — | — | |
| SCHEMBL10489317 | 0.77 | — | — | |
| SCHEMBL17694213 | 0.76 | TRPA1 (0.35) | — | |
| SCHEMBL11548287 | 0.75 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6294540-B1 | VIRICIDES AGAINST AIDS | GLAXO WELLCOME INC. | 2001-09-25 | — | — | US | claimed |
| US-20230174477-A1 | METHODS FOR SYNTHESIS OF THE TRICYCLIC PROSTAGLANDIN D2 METABOLITE METHYL ESTER | PURDUE RESEARCH FOUNDATION | 2023-06-08 | — | — | US | disclosed |
| US-20170362235-A1 | ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF | VASADE BIOSCIENCES, INC. | 2017-12-21 | — | — | US | disclosed |
| US-9487541-B2 | Fused tricyclic ether carbamates and their use | PURDUE RESEARCH FOUNDATION (US) | 2016-11-08 | — | — | US | disclosed |
| US-9433621-B2 | Substituted pyridine and pyrimidine derivatives and their use in treating viral infections | MERCK SHARP & DOHME CORP. (US) | 2016-09-06 | — | — | US | disclosed |
| US-9309213-B2 | C-3 substituted bicyclooctane based HIV protease inhibitors | PURDUE RESEARCH FOUNDATION (US) | 2016-04-12 | — | — | US | disclosed |
| US-20140242027-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | SOUTHERN RESEARCH INSTITUTE (US) | 2014-08-28 | — | — | US | disclosed |
| US-20140179754-A1 | FUSED TRICYCLIC ETHER CARBAMATES AND THEIR USE | NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) | 2014-06-26 | — | — | US | disclosed |
| US-20140148508-A1 | C-3 SUBSTITUTED BICYCLOOCTANE BASED HIV PROTEASE INHIBITORS | NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) | 2014-05-29 | — | — | US | disclosed |
| US-8563597-B2 | Fused tricyclic ether carbamates and their use | PURDUE RESEARCH FOUNDATION (US) | 2013-10-22 | — | — | US | disclosed |
| US-20130158094-A1 | FUSED TRICYCLIC ETHER CARBAMATES AND THEIR USE | PURDUE RESEARCH FOUNDATION (US) | 2013-06-20 | — | — | US | disclosed |
| US-8304223-B2 | Isoforms of pig liver esterase | ENZYMICALS AG (DE) | 2012-11-06 | — | — | US | disclosed |
| US-20110318305-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2011-12-29 | — | — | US | disclosed |
| US-20110207186-A1 | Isoforms of Pig Liver Esterase | ENZYMICALS AG (DE) | 2011-08-25 | — | — | US | disclosed |