⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL422839 | 0.75 | — | — | |
| SCHEMBL422838 | 0.75 | — | — | |
| SCHEMBL1116438 | 0.75 | — | — | |
| SCHEMBL17075395 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL11806490 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL7781585 | 0.70 | — | — | |
| SCHEMBL16028752 | 0.70 | ALDH1A1 (0.71) | — | |
| SCHEMBL801900 | 0.70 | — | — | |
| SCHEMBL1129707 | 0.70 | — | — | |
| SCHEMBL26621 | 0.70 | — | — |
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-4122282-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1978-10-24 | — | — | US | disclosed |
| US-4085139-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1978-04-18 | — | — | US | disclosed |
| US-4081478-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1978-03-28 | — | — | US | disclosed |
| US-4073808-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1978-02-14 | — | — | US | disclosed |