⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5933484 | 0.70 | — | — | |
| SCHEMBL9386099 | 0.62 | — | — | |
| SCHEMBL4734595 | 0.60 | HSP90AB1 (0.35) | — | |
| SCHEMBL1939076 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL655381 | 0.60 | CASP1 (0.35) | — | |
| SCHEMBL24202300 | 0.58 | THRB (0.32) | — | |
| SCHEMBL8369363 | 0.58 | THRB (0.32) | — | |
| SCHEMBL13978335 | 0.56 | — | — | |
| SCHEMBL6849054 | 0.56 | — | — | |
| SCHEMBL19373005 | 0.55 | THRB (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6326327-B1 | LIGANDS | DEGUSSA AG (DE) | 2001-12-04 | — | — | US | disclosed |
| EP-0941228-B1 | PROCESS FOR PREPARING MeO-Peg-PROTECTED DIHYDROQUININE OR DIHYDROQUINIDINE DERIVATIVES, DIHYDROQUININE OR DIHYDROQUINIDINE DERIVATIVES AND THEIR USE | DEGUSSA (DE) | 2001-08-01 | — | — | EP | disclosed |
| US-6180551-B1 | ENANTIOSELECTIVE DIHYDROXYLATION | DEGUSSA AG (DE) | 2001-01-30 | — | — | US | disclosed |