⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL303085 | 0.69 | — | — | |
| SCHEMBL9599 | 0.69 | — | — | |
| SCHEMBL11884121 | 0.69 | — | — | |
| SCHEMBL1386969 | 0.69 | — | — | |
| SCHEMBL44720 | 0.69 | — | — | |
| SCHEMBL10760112 | 0.67 | — | — | |
| SCHEMBL5631495 | 0.65 | — | — | |
| SCHEMBL10518262 | 0.62 | — | — | |
| SCHEMBL277738 | 0.60 | — | — | |
| SCHEMBL27922143 | 0.60 | TSHR (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0655058-A1 | PYRIDINYL/QUINOLINYL-TERMINATED ALKYLAMINO ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1995-05-31 | — | — | EP | disclosed |
| WO-1994004503-A1 | PYRIDINYL/QUINOLINYL-TERMINATED ALKYLAMINO ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION | G. D. SEARLE & CO. (US) | 1994-03-03 | — | — | WO | disclosed |