⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL229884 | 0.67 | — | — | |
| SCHEMBL8143413 | 0.58 | — | — | |
| SCHEMBL30149517 | 0.58 | — | — | |
| SCHEMBL16650117 | 0.58 | — | — | |
| SCHEMBL31215061 | 0.58 | — | — | |
| SCHEMBL25370026 | 0.58 | — | — | |
| SCHEMBL7103497 | 0.58 | — | — | |
| SCHEMBL156040 | 0.58 | — | — | |
| SCHEMBL3944427 | 0.41 | — | — | |
| Fluoride Ion SCHEMBL11567705 | 0.41 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5039630-A | Pulverization, foaming, heating, dipping in aqueous alkali, elution, neutralization; controlling moisture content and porosity | KIRIN BEER KABUSHIKI KAISHA (JP) | 1991-08-13 | — | — | US | disclosed |
| US-4792584-A | BLOCK COPOLYMER OF BUTADIENE AND VINYL AROMATIC HYDROCARBON, TACKIFIER | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1988-12-20 | — | — | US | disclosed |