⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3374814 | 0.70 | — | — | |
| SCHEMBL10615323 | 0.70 | — | — | |
| SCHEMBL9115153 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL9447606 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL9447609 | 0.68 | — | — | |
| SCHEMBL8887744 | 0.66 | — | — | |
| SCHEMBL16572713 | 0.64 | — | — | |
| SCHEMBL9245334 | 0.62 | — | — | |
| SCHEMBL11033133 | 0.60 | — | — | |
| SCHEMBL10879349 | 0.59 | — | — |
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-5231223-A | PROCESS FOR THE ARYLATION OF OLEFINS | BAYER AKTIENGESELLSCHAFT (DE) | 1993-07-27 | — | — | US | disclosed |