⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL340599 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL23454486 | 0.92 | — | — | |
| SCHEMBL35024 | 0.79 | — | — | |
| SCHEMBL12994077 | 0.79 | — | — | |
| SCHEMBL13988782 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL14342334 | 0.78 | — | — | |
| SCHEMBL12562530 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL10092225 | 0.76 | — | — | |
| SCHEMBL10015688 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL245397 | 0.76 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150080433-A1 | METAL COORDINATED COMPOSITIONS | SYNTHONICS, INC. | 2015-03-19 | — | — | US | disclosed |
| US-20130184447-A1 | METAL COORDINATED COMPOSITIONS | SYNTHONICS, INC. (US) | 2013-07-18 | — | — | US | disclosed |
| US-8389726-B2 | Metal coordinated compositions | SYNTHONICS, INC. (US) | 2013-03-05 | — | — | US | disclosed |
| US-20110275792-A1 | METAL COORDINATED COMPOSITIONS | SYNTHONICS, INC. | 2011-11-10 | — | — | US | disclosed |
| US-7989440-B2 | Metal coordinated compositions | SYNTHONICS, INC. (US) | 2011-08-02 | — | — | US | disclosed |
| US-7799937-B2 | Metal coordinated compositions | SYNTHONICS, INC. (US) | 2010-09-21 | — | — | US | disclosed |
| US-20090143338-A1 | Metal coordinated compositions | PICCARIELLO THOMAS | 2009-06-04 | — | — | US | disclosed |
| EP-1945191-A2 | METAL COORDINATED COMPOSITIONS | Synthonics, Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| US-20080015352-A1 | Metal coordinated compositions | HTERT3, INC. | 2008-01-17 | — | — | US | disclosed |
| WO-2007050181-A2 | METAL COORDINATED COMPOSITIONS | SYNTHONICS, INC. (US) | 2007-05-03 | — | — | WO | disclosed |
| US-20060141054-A1 | Metal coordinated compositions | SYNTHONICS, INC. | 2006-06-29 | — | — | US | disclosed |