⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27395852 | 0.82 | — | — | |
| SCHEMBL27515627 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL234302 | 0.80 | ADH1B (0.32) | — | |
| SCHEMBL10362792 | 0.78 | — | — | |
| SCHEMBL20496580 | 0.78 | ADH1B (0.30) | — | |
| SCHEMBL232916 | 0.73 | ADH1B (0.32) | — | |
| SCHEMBL896775 | 0.73 | — | — | |
| SCHEMBL2275067 | 0.73 | — | — | |
| SCHEMBL28638589 | 0.73 | — | — | |
| SCHEMBL21047497 | 0.73 | — | — |
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-2011048159-A1 | METHOD FOR PRODUCING OLIGO- AND/OR POLYSILOXANES AND/OR N-SUBSTITUTED UREA DERIVATIVES | TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) | 2011-04-28 | — | — | WO | disclosed |
| EP-0915335-A1 | A separating agent comprising an optically active polymer and polystyrene cristalline deposited on a carrier | Aznar, Pascal (FR) | 1999-05-12 | — | — | EP | disclosed |