⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5027518 | 0.71 | — | — | |
| SCHEMBL525614 | 0.69 | — | — | |
| SCHEMBL5384520 | 0.67 | — | — | |
| SCHEMBL9662591 | 0.67 | — | — | |
| SCHEMBL4611700 | 0.66 | — | — | |
| SCHEMBL10072576 | 0.65 | — | — | |
| SCHEMBL1932366 | 0.65 | — | — | |
| SCHEMBL13015459 | 0.65 | — | — | |
| SCHEMBL3505339 | 0.65 | — | — | |
| SCHEMBL14955836 | 0.65 | TSHR (0.41) | — |
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-2008021161-A2 | METHOD OF SURFACE MODIFICATION FOR THE REDUCTION OF TRACE COMPONENT DISSOLUTION | POROUS MEDIA CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |
| US-20080041105-A1 | Method of surface modification for the reduction of trace component dissolution | POROUS MEDIA CORPORATION | 2008-02-21 | — | — | US | disclosed |
| US-4160775-A | FROM HYDROSILOXANES AND METHALLYL COMPOUNDS | UNION CARBIDE CORPORATION (US) | 1979-07-10 | — | — | US | disclosed |