⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10760051 | 0.95 | DAO (0.40) | — | |
| SCHEMBL10761214 | 0.89 | IGF1R (0.47) | — | |
| Bromide SCHEMBL10762115 | 0.88 | IGF1R (0.46) | — | |
| SCHEMBL10759637 | 0.88 | IGF1R (0.49) | — | |
| SCHEMBL10762631 | 0.87 | IGF1R (0.50) | — | |
| SCHEMBL10760721 | 0.86 | MAOB (0.38) | — | |
| SCHEMBL4816486 | 0.83 | — | — | |
| Bromide SCHEMBL10758949 | 0.82 | IGF1R (0.49) | — | |
| SCHEMBL6811466 | 0.82 | IGF1R (0.51) | — | |
| Bromide SCHEMBL10758968 | 0.82 | IGF1R (0.49) | — |
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-4701461-A | ANTIALLERGENS | USV PHARMACEUTICAL CORPORATION (US) | 1987-10-20 | — | — | US | disclosed |
| US-4632929-A | CARDIOTONIC AGENTS, ANTIALLERGENS | USV PHARMACEUTICAL CORP. (US) | 1986-12-30 | — | — | US | disclosed |
| US-4569941-A | Method of using phenyl-alkylene-2-pyridyl derivatives to increase cardiac contractility in a mammal | USV PHARMACEUTICAL CORP. (US) | 1986-02-11 | — | — | US | disclosed |