⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5537664 | 0.82 | — | — | |
| SCHEMBL28280998 | 0.82 | — | — | |
| SCHEMBL3693356 | 0.82 | — | — | |
| SCHEMBL4954754 | 0.82 | — | — | |
| SCHEMBL11612290 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL318074 | 0.67 | — | — | |
| SCHEMBL11422363 | 0.67 | — | — | |
| Bromide SCHEMBL4262867 | 0.67 | — | — | |
| Arsenic SCHEMBL11411356 | 0.67 | — | — | |
| SCHEMBL5598386 | 0.67 | — | — |
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-4298574-A | Hydrogen gas detector | THE BABCOCK & WILCOX COMPANY (US) | 1981-11-03 | — | — | US | disclosed |
| US-4222900-A | Method of activating a palladium-silver alloy | THE BABCOCK & WILCOX COMPANY (US) | 1980-09-16 | — | — | US | disclosed |