⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL595900 | 0.93 | — | — | |
| Water SCHEMBL27258633 | 0.86 | — | — | |
| SCHEMBL27485205 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9840220 | 0.86 | — | — | |
| Fluoride SCHEMBL27546571 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL27459065 | 0.86 | — | — | |
| Water SCHEMBL28798190 | 0.80 | — | — | |
| Trimethylammonium SCHEMBL27512682 | 0.76 | — | — | |
| Benzene SCHEMBL27808265 | 0.76 | — | — | |
| Trimethylammonium SCHEMBL28809180 | 0.72 | — | — |
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-8206673-B2 | Method of preparing boron-nitrogen compounds | WILDCAT DISCOVERY TECHNOLOGIES (US) | 2012-06-26 | — | — | US | disclosed |
| US-20110064640-A1 | METHOD OF PREPARING BORON-NITROGEN COMPOUNDS | WILDCAT DISCOVERY TECHNOLOGIES (US) | 2011-03-17 | — | — | US | disclosed |