⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL707951 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9276835 | 0.69 | — | — | |
| SCHEMBL9230183 | 0.67 | — | — | |
| SCHEMBL1826170 | 0.65 | — | — | |
| SCHEMBL5311607 | 0.62 | — | — | |
| SCHEMBL22975 | 0.57 | — | — | |
| SCHEMBL48154 | 0.57 | — | — | |
| SCHEMBL30485501 | 0.57 | — | — | |
| SCHEMBL5005258 | 0.55 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL4481319 | 0.55 | ALDH1A1 (0.44) | — |
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-2017103790-A1 | HYDROPHILIZED POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS AND USES THEREOF | NOVARTIS AG (CH) | 2017-06-22 | — | — | WO | disclosed |
| EP-1696921-A1 | TRICYCLIC IMIDAZOPYRIDINES FOR USE AS GASTRIC SECRETION INHIBITORS | Altana Pharma AG (DE) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058325-A1 | TRICYCLIC IMIDAZOPYRIDINES FOR USE AS GASTRIC SECRETION INHIBITORS | ALTANA PHARMA AG (DE) | 2005-06-30 | — | — | WO | disclosed |