⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17953129 | 0.86 | — | — | |
| SCHEMBL7760636 | 0.82 | — | — | |
| SCHEMBL22462203 | 0.78 | — | — | |
| SCHEMBL17668996 | 0.78 | — | — | |
| SCHEMBL22534473 | 0.77 | — | — | |
| SCHEMBL17669014 | 0.75 | — | — | |
| SCHEMBL17669079 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL319741 | 0.73 | MAPK1 (0.31) | — | |
| SCHEMBL374041 | 0.73 | — | — | |
| SCHEMBL8928303 | 0.73 | LMNA (0.32) | — |
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-4524169-A | THERMOPLASTIC RUBBER, SILICATE FILLER, AND AN ORGANOSILICON COMPOUND | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1985-06-18 | — | — | US | disclosed |
| US-4297145-A | HALOALKYL MONO-, DI-, OR TRIORGANO SILANES WITH CARBON BLACK OR SILICA FOR MOLDING NATURAL OR SYNTHETIC RUBBERS | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1981-10-27 | — | — | US | disclosed |
| US-4278587-A | HALOALKYLSILANE | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |