⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4263223 | 1.00 | — | — | |
| SCHEMBL8721546 | 0.82 | — | — | |
| SCHEMBL197121 | 0.82 | — | — | |
| SCHEMBL197122 | 0.82 | — | — | |
| SCHEMBL17772932 | 0.81 | PTGS1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL9807458 | 0.80 | PTGS1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8945311 | 0.80 | PTGS1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8945317 | 0.80 | PTGS1 (0.39) | — | |
| SCHEMBL8345827 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9807456 | 0.80 | PTGS1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699598-A | COMPOSITIONS AND METHODS FOR DETERMINING MODIFIED CYTOSINES BY SEQUENCING | 新英格兰生物实验室公司 | 2018-10-23 | — | — | CN | claimed |
| CN-106662568-A | Selective analysis of modified biological molecules with solid-state nanopores | 韦克福里斯特大学健康学院 | 2017-05-10 | — | — | CN | disclosed |
| CN-104356338-A | Self-repairing polyurethane coating and preparation method thereof | UNIV SOUTH CHINA TECH | 2015-02-18 | — | — | CN | disclosed |
| US-8263417-B2 | Self-illuminating dot systems and methods of use thereof | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2012-09-11 | — | — | US | disclosed |
| US-20090004117-A1 | Self-Illiminating Dot Systems and Methods of Use Thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-01-01 | — | — | US | disclosed |