⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL5865890 | 0.86 | — | — | |
| Carbamic Acid SCHEMBL5865959 | 0.80 | — | — | |
| SCHEMBL597762 | 0.76 | — | — | |
| SCHEMBL830324 | 0.70 | — | — | |
| SCHEMBL270616 | 0.70 | — | — | |
| SCHEMBL5048999 | 0.67 | — | — | |
| SCHEMBL1077449 | 0.67 | — | — | |
| Bicarbonate SCHEMBL19712682 | 0.65 | — | — | |
| SCHEMBL4226099 | 0.64 | — | — | |
| SCHEMBL77308 | 0.64 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7078049-B2 | Ultrafine emulsion containing a haloalkynyl derivative | L'OREAL (FR) | 2006-07-18 | — | — | US | claimed |
| US-20030073689-A1 | Ultrafine emulsion containing a haloalkynyl derivative | L'OREAL (FR) | 2003-04-17 | — | — | US | claimed |
| US-20120122816-A1 | COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION | RESOLVYX PHARMACEUTICALS, INC. (US) | 2012-05-17 | — | — | US | disclosed |
| US-20110245528-A1 | THERAPEUTIC COMPOUNDS | SCHWARTZ C ERIC | 2011-10-06 | — | — | US | disclosed |
| US-20110190242-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE | RESOLVYX PHARMACEUTICALS, INC. (US) | 2011-08-04 | — | — | US | disclosed |
| WO-2010091226-A1 | COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION | RESOLVYX PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |
| WO-2010039531-A1 | THERAPEUTIC COMPOUNDS | RESOLVYX PHARMACEUTICALS, INC. (US) | 2010-04-08 | — | — | WO | disclosed |
| WO-2010039529-A2 | COMPOSITIONS AND METHODS FOR THE TREAMENT OF INFLAMMATORY DISEASE | RESOLVYX PHARMACEUTICALS, INC. (US) | 2010-04-08 | — | — | WO | disclosed |
| US-20020155443-A1 | Metal binding DNA interactive compounds | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2002-10-24 | — | — | US | disclosed |
| CN-1111616-A | Bromopropargyl quaternary ammonium compounds having antimicrobial activity | ROHM & HAAS (US) | 1995-11-15 | — | — | CN | disclosed |
| EP-0675117-A1 | Bromopropargyl quaternary ammonium compounds having antimicrobial activity | ROHM AND HAAS COMPANY (US) | 1995-10-04 | — | — | EP | disclosed |
| US-5411933-A | Bromopropargyl quarternary ammonium compounds having antimicrobial activity | ROHM & HAAS COMPANY (US) | 1995-05-02 | — | — | US | disclosed |
| US-4592865-A | Antibiotic | SHIONOGI & CO., LTD. (JP) | 1986-06-03 | — | — | US | disclosed |