⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18470 | 0.85 | — | — | |
| SCHEMBL27629935 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL7884727 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL8431278 | 0.85 | LMNA (0.33) | — | |
| Water SCHEMBL6226530 | 0.80 | LMNA (0.30) | — | |
| SCHEMBL1408309 | 0.80 | — | — | |
| SCHEMBL1408311 | 0.80 | — | — | |
| Water SCHEMBL61018 | 0.80 | — | — | |
| Hydrogen Peroxide SCHEMBL6692226 | 0.80 | — | — | |
| Water SCHEMBL10439033 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991001391-A1 | PRODUCTION OF METAL BOROHYDRIDES AND ORGANIC ONIUM BOROHYDRIDES | SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) | 1991-02-07 | — | — | WO | disclosed |
| WO-1990015170-A1 | PRODUCTION OF QUATERNARY AMMONIUM AND QUATERNARY PHOSPHONIUM BOROHYDRIDES | SOUTHWESTERN ANALYTICAL CHEMICALS, INC. (US) | 1990-12-13 | — | — | WO | disclosed |