⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18647828 | 0.80 | — | — | |
| SCHEMBL9801312 | 0.78 | — | — | |
| SCHEMBL6717588 | 0.76 | — | — | |
| SCHEMBL4453702 | 0.74 | CCR2 (0.36) | — | |
| SCHEMBL8671029 | 0.74 | MAPT (0.32) | — | |
| SCHEMBL28529194 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL15903922 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL15903729 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL17331963 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL6729397 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0731804-A1 | DI-, TRI- AND TETRAFUNCTIONAL METHYL ISOBUTYL AND METHYL AMYL KETOXIME-BASED SILANES | AlliedSignal Inc. (US) | 1996-09-18 | — | — | EP | disclosed |
| EP-0447544-B1 | NOVEL ONIUM SALTS AND THE USE THEREOF AS PHOTOINITIATORS | EASTMAN KODAK CO (US) | 1996-01-10 | — | — | EP | disclosed |
| WO-1995014699-A1 | DI-, TRI- AND TETRAFUNCTIONAL METHYL ISOBUTYL AND METHYL AMYL KETOXIME-BASED SILANES | ALLIEDSIGNAL INC. (US) | 1995-06-01 | — | — | WO | disclosed |