⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL826207 | 0.76 | — | — | |
| SCHEMBL16799167 | 0.74 | SLC6A4 (0.32) | — | |
| SCHEMBL9538190 | 0.74 | — | — | |
| SCHEMBL8903501 | 0.74 | — | — | |
| SCHEMBL3954367 | 0.74 | LMNA (0.33) | — | |
| SCHEMBL8621579 | 0.72 | SLC6A4 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL7747374 | 0.72 | SLC6A4 (0.31) | — | |
| SCHEMBL10246313 | 0.71 | TAS1R3 (0.33) | — | |
| SCHEMBL3693051 | 0.71 | — | — | |
| SCHEMBL21409764 | 0.71 | LMNA (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0575972-B1 | Amino-containing organopolysiloxane and method for its preparation | DOW CORNING TORAY SILICONE (JP) | 1998-05-20 | — | — | EP | disclosed |
| EP-0575972-A2 | Amino-containing organopolysiloxane and method for its preparation | Dow Corning Toray Silicone Company, Limited (JP) | 1993-12-29 | — | — | EP | disclosed |