⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14716025 | 0.93 | — | — | |
| SCHEMBL129283 | 0.91 | NFKB1 (0.30) | — | |
| SCHEMBL12453337 | 0.90 | — | — | |
| SCHEMBL3627362 | 0.89 | — | — | |
| SCHEMBL14848700 | 0.89 | — | — | |
| SCHEMBL7809638 | 0.89 | — | — | |
| SCHEMBL15248754 | 0.89 | — | — | |
| SCHEMBL14217008 | 0.89 | — | — | |
| SCHEMBL12404073 | 0.89 | — | — | |
| SCHEMBL29392514 | 0.89 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9802152-B2 | System and methods for CO2 separation | GENERAL ELECTRIC COMPANY (US) | 2017-10-31 | — | — | US | disclosed |
| US-20170165608-A1 | SYSTEM AND METHODS FOR CO2 SEPARATION | BAKER HUGHES, A GE COMPANY, LLC | 2017-06-15 | — | — | US | disclosed |