⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57548 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL7215896 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL3496228 | 0.86 | — | — | |
| SCHEMBL17474379 | 0.86 | — | — | |
| Methane SCHEMBL190372 | 0.86 | ALDH1A1 (0.50) | — | |
| Phosphine SCHEMBL28813283 | 0.86 | — | — | |
| Naphthalene SCHEMBL3488502 | 0.77 | PARP1 (0.41) | — | |
| Pyrimidine SCHEMBL6803512 | 0.72 | ALDH1A1 (0.36) | — | |
| Pyridine SCHEMBL3397522 | 0.72 | TSHR (0.39) | — | |
| Phthalimide SCHEMBL8762662 | 0.70 | GSK3B (0.62) | — |
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-1029238-B1 | SAMPLING AND ANALYSIS OF REACTIONS BY TRAPPING REACTION COMPONENTS ON A SORBENT | SYMYX TECHNOLOGIES INC (US) | 2004-05-12 | — | — | EP | disclosed |
| US-6667009-B1 | Analysis apparatus comprising blocks having wells and adsorber layers on the surfaces for preferential screening of combinatorial chemistry libraries and transformations | SYMYX TECHNOLOGIES, INC. | 2003-12-23 | — | — | US | disclosed |
| EP-1287882-A2 | Method for screening a catalyst library | Symyx Technologies, Inc. (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6410332-B1 | ANALYZING LIBRARY OF MIXTURES; OBTAIN SAMPLE FROM LIBRARY, INCUBATE WITH SORBENT, TRAP PORTION OF SAMPLE ON SORBENT, DETECTING COMPONENTS OF THE FLUID SAMPLE TRAPPED ON THE SORBENT | SYMYX TECHNOLOGIES, INC. | 2002-06-25 | — | — | US | disclosed |