⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31302276 | 0.88 | LMNA (0.35) | — | |
| SCHEMBL31302302 | 0.86 | CA12 (0.35) | — | |
| SCHEMBL333253 | 0.77 | — | — | |
| SCHEMBL15301734 | 0.75 | CA12 (0.36) | — | |
| SCHEMBL31124882 | 0.74 | NAAA (0.47) | — | |
| SCHEMBL6219023 | 0.71 | — | — | |
| SCHEMBL4413525 | 0.71 | CA12 (0.48) | — | |
| SCHEMBL12080681 | 0.69 | CA12 (0.31) | — | |
| SCHEMBL7865879 | 0.69 | — | — | |
| SCHEMBL29507152 | 0.69 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9982095-B2 | Substituted organopolysiloxanes and use thereof | PHOSPHONICS LTD (GB) | 2018-05-29 | — | — | US | disclosed |
| US-20090098082-A1 | substiuted organopolysiloxanes and use thereof | PHOSPHONICS LTD (GB) | 2009-04-16 | — | — | US | disclosed |
| EP-1786850-B1 | SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF | PHOSPHONICS LTD (GB) | 2008-11-26 | — | — | EP | disclosed |
| EP-1786850-A1 | SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF | Phosphonics LTD (GB) | 2007-05-23 | — | — | EP | disclosed |
| WO-2006013060-A1 | SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF | PHOSPHONICS LTD (GB) | 2006-02-09 | — | — | WO | disclosed |