⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28014 | 0.94 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1554658 | 0.89 | — | — | |
| Water SCHEMBL15666534 | 0.89 | — | — | |
| SCHEMBL29561426 | 0.89 | — | — | |
| SCHEMBL5014786 | 0.89 | — | — | |
| SCHEMBL4826014 | 0.89 | — | — | |
| Water SCHEMBL533765 | 0.89 | — | — | |
| Fluoride SCHEMBL1399379 | 0.89 | — | — | |
| Ethyne SCHEMBL20610034 | 0.84 | — | — | |
| SCHEMBL6045462 | 0.80 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110190285-A1 | METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT | ABSOLUTE SCIENCE, INC. (US) | 2011-08-04 | — | — | US | disclosed |
| EP-2337778-A1 | METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT | Absolute Science, INC. (US) | 2011-06-29 | — | — | EP | disclosed |
| US-20110034521-A1 | COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-02-10 | — | — | US | disclosed |
| EP-2190293-A1 | COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES | Absolute Science, INC. (US) | 2010-06-02 | — | — | EP | disclosed |
| WO-2010033360-A1 | METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT | 1/3 ABSOLUTE SCIENCE, INC. (US) | 2010-03-25 | — | — | WO | disclosed |
| WO-2009045761-A1 | COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES | ABSOLUTE SCIENCE, INC. (US) | 2009-04-09 | — | — | WO | disclosed |