⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL487532 | 0.57 | — | — | |
| Ammonia Solution, Strong SCHEMBL3131089 | 0.38 | — | — | |
| Ammonia Solution, Strong SCHEMBL20 | 0.38 | — | — | |
| Ammonia Solution, Strong SCHEMBL221605 | 0.38 | — | — | |
| Ammonia Solution, Strong SCHEMBL279374 | 0.38 | — | — | |
| Methane SCHEMBL23044967 | 0.38 | — | — | |
| Ammonia Solution, Strong SCHEMBL1176826 | 0.38 | — | — | |
| SCHEMBL8563918 | 0.38 | — | — | |
| Ammonia Solution, Strong SCHEMBL20492107 | 0.38 | — | — | |
| Ammonia Solution, Strong SCHEMBL4114681 | 0.38 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0384518-B1 | Alkenylphenol derivatives | SHELL INT RESEARCH (NL) | 1994-08-24 | — | — | EP | disclosed |
| EP-0384518-A1 | Alkenylphenol derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-08-29 | — | — | EP | disclosed |
| US-4885351-A | Spirodilactam derivatives | SHELL OIL COMPANY (US) | 1989-12-05 | — | — | US | disclosed |