⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6849786 | 0.98 | — | — | |
| Bromide SCHEMBL6849901 | 0.81 | GAA (0.32) | — | |
| SCHEMBL18131319 | 0.76 | — | — | |
| SCHEMBL21810461 | 0.76 | — | — | |
| SCHEMBL10547926 | 0.76 | — | — | |
| SCHEMBL39164 | 0.74 | POLB (0.30) | — | |
| SCHEMBL16014566 | 0.73 | — | — | |
| SCHEMBL6440570 | 0.73 | — | — | |
| SCHEMBL5227293 | 0.72 | — | — | |
| SCHEMBL319239 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111479804-A | Method for producing modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2020-07-31 | — | — | CN | disclosed |
| WO-2018053302-A1 | MACROCYCLIC COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF | ENSEMBLE THERAPEUTICS CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |
| WO-2014165816-A1 | COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME | NORTH CAROLINA CENTRAL UNIVERSITY (US) | 2014-10-09 | — | — | WO | disclosed |
| EP-2584896-A2 | HERBICIDAL COMPOSITIONS | BASF SE (DE) | 2013-05-01 | — | — | EP | disclosed |
| US-20130102463-A1 | Herbicidal Compositions | BASF SE (DE) | 2013-04-25 | — | — | US | disclosed |
| WO-2011161105-A2 | HERBICIDAL COMPOSITIONS | BASF SE (DE) | 2011-12-29 | — | — | WO | disclosed |