⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30526 | 0.95 | — | — | |
| SCHEMBL31310489 | 0.90 | — | — | |
| SCHEMBL5648601 | 0.90 | — | — | |
| SCHEMBL7135212 | 0.90 | — | — | |
| SCHEMBL9542597 | 0.90 | — | — | |
| SCHEMBL5983458 | 0.90 | — | — | |
| Water SCHEMBL203056 | 0.90 | — | — | |
| SCHEMBL16460234 | 0.90 | — | — | |
| SCHEMBL7059661 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL757128 | 0.90 | — | — |
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-5078906-A | Organic lithium-potassium complexes for metallization reactions, preparation of aspirin substitutes, fenoprofen | MINE SAFETY APPLIANCES COMPANY (US) | 1992-01-07 | — | — | US | disclosed |
| EP-0379987-A2 | Process for the preparation of alpha-arylalkanoic acids | Mine Safety Appliances Company (US) | 1990-08-01 | — | — | EP | disclosed |
| US-4910337-A | Process for the preparation of α-arylalkanoic acids | MINE SAFETY APPLIANCES COMPANY (US) | 1990-03-20 | — | — | US | disclosed |