⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20761876 | 0.78 | — | — | |
| SCHEMBL7447601 | 0.74 | PARP1 (0.30) | — | |
| SCHEMBL20194003 | 0.70 | MAPT (0.31) | — | |
| Hydrochloric Acid SCHEMBL8709933 | 0.69 | — | — | |
| SCHEMBL65108 | 0.67 | — | — | |
| SCHEMBL8527763 | 0.65 | — | — | |
| SCHEMBL8527764 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7285171 | 0.65 | — | — | |
| SCHEMBL6545982 | 0.65 | HRH3 (0.39) | — | |
| SCHEMBL5668931 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5811445-A | ANGIOTENSIN II INHIBITORS | ROUSSEL UCLAF (FR) | 1998-09-22 | — | — | US | disclosed |