⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9204135 | 0.98 | — | — | |
| SCHEMBL9434139 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9203187 | 0.77 | — | — | |
| SCHEMBL9434754 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9205715 | 0.69 | — | — | |
| SCHEMBL9216141 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8873476 | 0.65 | — | — | |
| SCHEMBL17802863 | 0.62 | — | — | |
| SCHEMBL24851233 | 0.58 | — | — | |
| SCHEMBL3756894 | 0.58 | — | — |
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-1994002479-A1 | NOVEL DIAZABICYCLOALKENES AND PROCESSES FOR THE PREPARATION THEREOF | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1994-02-03 | — | — | WO | disclosed |