⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135686 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL2333386 | 0.93 | — | — | |
| SCHEMBL2162549 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL2583805 | 0.93 | — | — | |
| SCHEMBL6658767 | 0.93 | — | — | |
| SCHEMBL6550854 | 0.93 | — | — | |
| SCHEMBL9302151 | 0.93 | — | — | |
| SCHEMBL7320531 | 0.93 | — | — | |
| SCHEMBL22367796 | 0.93 | — | — | |
| Water SCHEMBL28454428 | 0.93 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5395960-A | Reaction of carboxylic acid with acetylene using a platinum metal complex catalyst | BASF AKTIENGESELLSCHAFT (DE) | 1995-03-07 | — | — | US | disclosed |