⚠ 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 | |
|---|---|---|---|---|
| Carbon Monoxide SCHEMBL1111 | 1.00 | — | — | |
| Carbon Monoxide SCHEMBL1376860 | 1.00 | — | — | |
| Carbon Monoxide SCHEMBL29355350 | 1.00 | — | — | |
| Carbon Monoxide SCHEMBL5306195 | 1.00 | — | — | |
| Carbon Monoxide SCHEMBL198847 | 0.87 | — | — | |
| Carbon Monoxide SCHEMBL10922104 | 0.87 | — | — | |
| Carbon Monoxide SCHEMBL6888633 | 0.87 | — | — | |
| Carbon Monoxide SCHEMBL337054 | 0.87 | — | — | |
| Carbon Monoxide SCHEMBL8092431 | 0.87 | — | — | |
| Carbon Monoxide SCHEMBL8039507 | 0.87 | — | — |
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-10371774-B2 | Method for two field nuclear magnetic resonance measurements | Bruker S.A.S (FR) | 2019-08-06 | — | — | US | disclosed |
| EP-3081954-B1 | METHOD FOR TWO FIELD NUCLEAR MAGNETIC RESONANCE MEASUREMENTS | BRUKER FRANCE S A S (FR) | 2018-07-25 | — | — | EP | disclosed |
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| EP-3081954-A1 | METHOD FOR TWO FIELD NUCLEAR MAGNETIC RESONANCE MEASUREMENTS | Bruker Biospin (SAS) (FR) | 2016-10-19 | — | — | EP | disclosed |
| US-20160299204-A1 | Method for Two Field Nuclear Magnetic Resonance Measurements | ECOLE NORMALE SUPERIEURE (FR) | 2016-10-13 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |