⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64599 | 0.96 | — | — | |
| SCHEMBL27937485 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL10709860 | 0.93 | NOS2 (0.60) | — | |
| Hydrochloric Acid SCHEMBL8446392 | 0.93 | NOS2 (0.60) | — | |
| Hydrochloric Acid SCHEMBL5681195 | 0.93 | — | — | |
| SCHEMBL28747612 | 0.93 | — | — | |
| SCHEMBL6916647 | 0.87 | NOS2 (0.55) | — | |
| Methyl Alcohol SCHEMBL29137692 | 0.87 | NOS2 (0.62) | — | |
| SCHEMBL28695346 | 0.84 | NOS2 (0.52) | — | |
| SCHEMBL27202183 | 0.84 | CYP3A4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7834212-B2 | Lightweight, and has a highly developed pore structure,good gas absorbability; by dehydrogenating a compound having two or more amine-borane adduct | NIPPON OIL CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20080095684-A1 | Lightweight, and has a highly developed pore structure,good gas absorbability; by dehydrogenating a compound having two or more amine-borane adduct | NIPPON OIL CORPORATION (JP) | 2008-04-24 | — | — | US | disclosed |