⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL11557752 | 0.89 | ALOX15 (0.46) | — | |
| SCHEMBL21847625 | 0.78 | — | — | |
| SCHEMBL8396032 | 0.74 | — | — | |
| SCHEMBL8395991 | 0.74 | — | — | |
| SCHEMBL21846943 | 0.72 | — | — | |
| SCHEMBL901448 | 0.70 | — | — | |
| SCHEMBL5061919 | 0.70 | — | — | |
| SCHEMBL2900032 | 0.70 | — | — | |
| Carbamic Acid SCHEMBL28605258 | 0.70 | CYP2D6 (0.36) | — | |
| SCHEMBL21846901 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210221821-A1 | TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER | GENENTECH, INC. (US) | 2021-07-22 | — | — | US | disclosed |
| US-20070141630-A1 | IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY | GENENTECH, INC. (US) | 2007-06-21 | — | — | US | disclosed |
| US-6908919-B2 | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2005-06-21 | — | — | US | disclosed |