⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11126570 | 0.74 | — | — | |
| SCHEMBL9512546 | 0.70 | — | — | |
| SCHEMBL16892844 | 0.68 | — | — | |
| SCHEMBL28137015 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL27792170 | 0.61 | — | — | |
| SCHEMBL35670 | 0.60 | — | — | |
| SCHEMBL11800429 | 0.60 | — | — | |
| SCHEMBL9179112 | 0.57 | ALDH1A1 (0.31) | — | |
| SCHEMBL8074143 | 0.57 | — | — | |
| Ethane SCHEMBL3901033 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8421017-B2 | Analyte detection with infrared light | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2013-04-16 | — | — | US | disclosed |
| US-20120091344-A1 | DETECTION OF CHEMICALS WITH INFRARED LIGHT | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2012-04-19 | — | — | US | disclosed |
| US-8101915-B2 | Detection of chemicals with infrared light | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2012-01-24 | — | — | US | disclosed |
| US-20110271738-A1 | ANALYTE DETECTION WITH INFRARED LIGHT | U.S.A. AS REPRENSENTED BY THE SECRETARY OF THE NAVY, THE | 2011-11-10 | — | — | US | disclosed |
| US-20100044570-A1 | DETECTION OF CHEMICALS WITH INFRARED LIGHT | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2010-02-25 | — | — | US | disclosed |