⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10463620 | 0.60 | — | — | |
| SCHEMBL10462133 | 0.60 | — | — | |
| SCHEMBL622864 | 0.55 | — | — | |
| SCHEMBL15334774 | 0.53 | TSHR (0.44) | — | |
| SCHEMBL21932881 | 0.53 | — | — | |
| SCHEMBL8954330 | 0.52 | TSHR (0.50) | — | |
| SCHEMBL30394200 | 0.52 | TSHR (0.50) | — | |
| SCHEMBL119203 | 0.52 | TSHR (0.50) | — | |
| SCHEMBL1585098 | 0.52 | AR (0.52) | — | |
| SCHEMBL29913745 | 0.50 | TSHR (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4728653-A | CONGESTIVE HEART FAILURE | PFIZER INC. (US) | 1988-03-01 | — | — | US | claimed |
| US-4900839-A | SUBSTITUTED PHENYLPROPENAMIDES | PFIZER INC. (US) | 1990-02-13 | — | — | US | disclosed |
| US-4837334-A | Precursors to quinolone inotropic agents | PFIZER INC. (US) | 1989-06-06 | — | — | US | disclosed |
| US-4728653-A | CONGESTIVE HEART FAILURE | PFIZER INC. (US) | 1988-03-01 | — | — | US | disclosed |