⚠ 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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL6272096 | 0.63 | — | — | |
| Ethyne SCHEMBL144006 | 0.63 | — | — | |
| Ethyne SCHEMBL27961050 | 0.63 | — | — | |
| Ethyne SCHEMBL428 | 0.63 | — | — | |
| Ethyne SCHEMBL4753041 | 0.63 | — | — | |
| SCHEMBL8380791 | 0.60 | — | — | |
| Cyanide SCHEMBL2575681 | 0.55 | — | — | |
| Ethyne SCHEMBL3320792 | 0.52 | — | — | |
| Ethyne SCHEMBL3694283 | 0.52 | — | — | |
| Ethyne SCHEMBL98802 | 0.52 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2845854-B1 | DEUTERATED BENZOPYRAN COMPOUND AND APPLICATION THEREOF | GUANGZHOU INST BIOMED & HEALTH (CN) | 2016-09-21 | — | — | EP | claimed |
| CN-104692991-A | Preparation method of deuteroethylene | WUHAN TROOWIN POWER SYSTEM TECHNOLOGY CO LTD | 2015-06-10 | — | — | CN | disclosed |
| CN-104692992-A | Preparation method of deuteroethylene | WUHAN TROOWIN POWER SYSTEM TECHNOLOGY CO LTD | 2015-06-10 | — | — | CN | disclosed |
| US-20120095211-A1 | SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-04-19 | — | — | US | disclosed |
| US-20090324536-A1 | ANTIMICROBIAL POLYMERS AND COATINGS | THE UNIVERSITY OF SOUTH DAKOTA (US) | 2009-12-31 | — | — | US | disclosed |
| CN-100402497-C | Fluorinated vitamin D3 analogs | HOFFMANN LA ROCHE (CH) | 2008-07-16 | — | — | CN | disclosed |
| CN-1172801-A | Fluorinated vitamin D3 analogs | HOFFMANN LA ROCHE (CH) | 1998-02-11 | — | — | CN | disclosed |