⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14997122 | 1.00 | — | — | |
| SCHEMBL12859965 | 0.77 | — | — | |
| SCHEMBL13494236 | 0.77 | — | — | |
| SCHEMBL24358432 | 0.71 | — | — | |
| SCHEMBL12642783 | 0.71 | — | — | |
| SCHEMBL6885293 | 0.71 | — | — | |
| SCHEMBL9926175 | 0.69 | — | — | |
| SCHEMBL13159697 | 0.69 | — | — | |
| SCHEMBL22073514 | 0.69 | TDP1 (0.33) | — | |
| SCHEMBL17407602 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012024419-A2 | BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA | ALCON RESEARCH, LTD. (US) | 2012-02-23 | — | — | WO | disclosed |