⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11639645 | 1.00 | — | — | |
| SCHEMBL4161512 | 0.75 | — | — | |
| SCHEMBL4429094 | 0.72 | — | — | |
| SCHEMBL4429092 | 0.72 | — | — | |
| SCHEMBL12704754 | 0.71 | — | — | |
| SCHEMBL1851654 | 0.70 | — | — | |
| SCHEMBL13848749 | 0.67 | — | — | |
| SCHEMBL11646079 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL11646071 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL11644593 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4115545-A | Pharmaceutical composition containing prostadienoic acid for regulating gastric secretion | ALZA CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |
| US-4055593-A | OXYTOCICS, ANTIULCER, DECONGESTANTS, ANTICLUMPING, MUSCLE RELAXANT, ANTISECRETORY, BLOOD PRESSURE, LIPOLYSIS | ALZA CORPORATION (US) | 1977-10-25 | — | — | US | disclosed |