⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL263810 | 0.73 | — | — | |
| SCHEMBL5014882 | 0.71 | — | — | |
| SCHEMBL6261190 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL508111 | 0.71 | — | — | |
| SCHEMBL2955355 | 0.69 | — | — | |
| Bromide SCHEMBL8855369 | 0.67 | — | — | |
| SCHEMBL385132 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28854389 | 0.65 | — | — | |
| Bicarbonate SCHEMBL5014541 | 0.65 | CYP1A2 (0.33) | — | |
| SCHEMBL10339644 | 0.65 | — | — |
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-2220176-B1 | SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION | DUBLIN INSTITUTE OF TECH INTELLECTUAL PROPERTY LTD (IE) | 2018-09-19 | — | — | EP | disclosed |
| US-20100330380-A1 | Organosilane Coating Compositions and Use Thereof | DUBLIN CITY UNIVERSITY (IE) | 2010-12-30 | — | — | US | disclosed |