⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL10625357 | 0.88 | — | — | |
| Sulfuric Acid SCHEMBL10785154 | 0.88 | — | — | |
| Ethyl Chloride SCHEMBL11285609 | 0.85 | TSHR (0.39) | — | |
| Sulfuric Acid SCHEMBL7606679 | 0.85 | — | — | |
| Butane SCHEMBL10628052 | 0.85 | — | — | |
| Ethyl Chloride SCHEMBL473306 | 0.84 | — | — | |
| Methylene Chloride SCHEMBL9185705 | 0.84 | — | — | |
| 1,2-Dichloroethane SCHEMBL6842621 | 0.80 | — | — | |
| Ethane SCHEMBL6554783 | 0.79 | — | — | |
| Chloromethane SCHEMBL7839843 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0053320-A2 | Process for the preparation of phthalocyanin compounds | BAYER AG (DE) | 1982-06-09 | — | — | EP | disclosed |
| US-3987026-A | POLYESTERS | CIBA-GEIGY CORPORATION (US) | 1976-10-19 | — | — | US | disclosed |