⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1049835 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL1054094 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL1053795 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1087600 | 0.68 | — | — | |
| SCHEMBL1087999 | 0.68 | — | — | |
| SCHEMBL1087217 | 0.68 | — | — | |
| SCHEMBL27920823 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL713405 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL9664185 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL1053957 | 0.64 | ALDH1A1 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3141538-B1 | IMPROVED PROCESS STABILITY OF NBDE USING SUBSTITUTED PHENOL STABILIZERS | VERSUM MAT US LLC (US) | 2019-10-30 | — | — | EP | disclosed |
| EP-3141538-A1 | IMPROVED PROCESS STABILITY OF NBDE USING SUBSTITUTED PHENOL STABILIZERS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2017-03-15 | — | — | EP | disclosed |
| EP-2141141-B1 | Improved Process Stability of NBDE Using Substituted Phenol Stabilizers | AIR PROD & CHEM (US) | 2016-09-28 | — | — | EP | disclosed |
| EP-2141141-A1 | Improved Process Stability of NBDE Using Substituted Phenol Stabilizers | Air Products and Chemicals, Inc. (US) | 2010-01-06 | — | — | EP | disclosed |