⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27916753 | 0.61 | CYP2E1 (0.38) | — | |
| SCHEMBL25581836 | 0.60 | CYP11B2 (0.41) | — | |
| SCHEMBL12610 | 0.59 | — | — | |
| SCHEMBL9400502 | 0.58 | — | — | |
| SCHEMBL14568620 | 0.58 | — | — | |
| SCHEMBL18520369 | 0.58 | — | — | |
| SCHEMBL26792795 | 0.58 | — | — | |
| SCHEMBL27453763 | 0.58 | — | — | |
| SCHEMBL18377886 | 0.57 | — | — | |
| SCHEMBL27372176 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993009123-A1 | HETEROCYCLIC AMINO-BORANES | BORON BIOLOGICALS, INC. (US) | 1993-05-13 | — | — | WO | claimed |
| US-5280119-A | Heterocyclic amine attached to boron by a nitrogen-boron coordinated bond | BORON BIOLOGICALS, INC. (US) | 1994-01-18 | — | — | US | disclosed |
| WO-1993009123-A1 | HETEROCYCLIC AMINO-BORANES | BORON BIOLOGICALS, INC. (US) | 1993-05-13 | — | — | WO | disclosed |