⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11525466 | 1.00 | — | — | |
| SCHEMBL11525793 | 0.85 | — | — | |
| SCHEMBL11525791 | 0.85 | — | — | |
| SCHEMBL9839703 | 0.83 | TRPA1 (0.61) | — | |
| SCHEMBL8838844 | 0.83 | TRPA1 (0.61) | — | |
| SCHEMBL10871136 | 0.83 | CES2 (0.50) | — | |
| SCHEMBL10871127 | 0.83 | CES2 (0.50) | — | |
| SCHEMBL11529230 | 0.81 | TRPA1 (0.59) | — | |
| SCHEMBL11347070 | 0.81 | TRPA1 (0.59) | — | |
| SCHEMBL5701267 | 0.81 | TRPA1 (0.59) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4161608-A | 11 Hydroxy methyl 11-deoxyprostaglandin E1 | AYERST, MCKENNA AND HARRISON LIMITED (CA) | 1979-07-17 | — | — | US | disclosed |
| US-4100343-A | 11-Deoxyprostaglandin derivatives | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1978-07-11 | — | — | US | disclosed |
| US-4089898-A | 11-Deoxyprostaglandin derivatives | AYERST, MCKENNA & HARRISON LTD. (CA) | 1978-05-16 | — | — | US | disclosed |
| US-4036856-A | PROSTAGLANDINS | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-07-19 | — | — | US | disclosed |
| US-4006136-A | Prostaglandin intermediates | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-02-01 | — | — | US | disclosed |