⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9156053 | 0.70 | — | — | |
| SCHEMBL15507118 | 0.70 | — | — | |
| SCHEMBL11027810 | 0.70 | — | — | |
| SCHEMBL9875227 | 0.68 | — | — | |
| SCHEMBL94353 | 0.65 | — | — | |
| Tert-Butylamine SCHEMBL5736553 | 0.65 | — | — | |
| Tert-Butylamine SCHEMBL8051 | 0.65 | — | — | |
| Tert-Butylamine SCHEMBL6064515 | 0.65 | FDPS (0.33) | — | |
| SCHEMBL111550 | 0.65 | — | — | |
| SCHEMBL2385852 | 0.65 | FDPS (0.33) | — |
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-20200368675-A1 | LOW ENERGY CONSUMPTION ANHYDROUS CO2 PHASE CHANGE ABSORPTION AGENT, AND REGENERATION METHOD AND APPLICATION THEREOF | TIANGONG UNIVERSITY (CN) | 2020-11-26 | — | — | US | claimed |
| WO-1994011367-A1 | 2-(PYRID-2'-YL)-2-THIAZOLINE-4(S)-CARBOXYLIC ACID DERIVATIVES | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) | 1994-05-26 | — | — | WO | disclosed |