⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5462451 | 0.81 | — | — | |
| SCHEMBL6935607 | 0.73 | — | — | |
| SCHEMBL7003401 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL9181838 | 0.67 | — | — | |
| SCHEMBL8676359 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL394224 | 0.65 | — | — | |
| SCHEMBL9577849 | 0.65 | — | — | |
| SCHEMBL7053422 | 0.65 | — | — | |
| SCHEMBL18759362 | 0.64 | — | — | |
| SCHEMBL21500725 | 0.63 | CA12 (0.43) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104558494-A | Highly moisture permeable modified polyurethane and preparation method thereof | QUANZHOU DECHENG TECH RESIGN CO LTD | 2015-04-29 | — | — | CN | disclosed |
| EP-0367720-A3 | NOVEL POLYSILOXANE-POLYURETHANES AND CONTACT LENSES THEREOF | CIBA-GEIGY AG (CH) | 1991-07-03 | — | — | EP | disclosed |
| US-4962178-A | 0XYGEN PERMEABLE MEMBRANE | CIBA-GEIGY CORPORATION (US) | 1990-10-09 | — | — | US | disclosed |
| EP-0367720-A2 | Novel polysiloxane-polyurethanes and contact lenses thereof | CIBA-GEIGY AG (CH) | 1990-05-09 | — | — | EP | disclosed |
| EP-0114399-B1 | PROCESS FOR PREPARING SILYL CARBAMATES | UNION CARBIDE CORPORATION (US) | 1986-09-17 | — | — | EP | disclosed |