⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20495661 | 0.65 | — | — | |
| SCHEMBL28420943 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL8501582 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL26982664 | 0.61 | — | — | |
| SCHEMBL707891 | 0.61 | — | — | |
| SCHEMBL28572796 | 0.60 | — | — | |
| Chloromethane SCHEMBL29158744 | 0.59 | — | — | |
| SCHEMBL28309103 | 0.59 | — | — | |
| Ethane SCHEMBL5833695 | 0.59 | — | — | |
| SCHEMBL1532616 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4143088-A | ORGANOSILICON COMPOUND, ORGANOTITANIUM COMPOUND | RHONE-POULENC INDUSTRIES (FR) | 1979-03-06 | — | — | US | disclosed |