⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1704558 | 0.97 | — | — | |
| SCHEMBL2294201 | 0.84 | CTSL (0.40) | — | |
| SCHEMBL22360555 | 0.83 | CTSL (0.33) | — | |
| SCHEMBL1114588 | 0.81 | CTSL (0.42) | — | |
| SCHEMBL16899671 | 0.80 | — | — | |
| SCHEMBL12361647 | 0.78 | LMNA (0.43) | — | |
| SCHEMBL12790596 | 0.78 | CTSL (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL27956557 | 0.78 | CTSL (0.40) | — | |
| SCHEMBL14273834 | 0.78 | LMNA (0.56) | — | |
| SCHEMBL1705186 | 0.77 | — | — |
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-5567849-A | Borane-sulfide hydroboration agents | ALDRICH CHEMICAL COMPANY, INC. (US) | 1996-10-22 | — | — | US | claimed |
| US-5567849-A | Borane-sulfide hydroboration agents | ALDRICH CHEMICAL COMPANY, INC. (US) | 1996-10-22 | — | — | US | disclosed |