⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14038253 | 0.73 | — | — | |
| SCHEMBL11216884 | 0.72 | — | — | |
| SCHEMBL11736502 | 0.70 | — | — | |
| SCHEMBL11736494 | 0.70 | — | — | |
| SCHEMBL11042792 | 0.70 | — | — | |
| SCHEMBL11046871 | 0.68 | — | — | |
| SCHEMBL8278922 | 0.67 | — | — | |
| SCHEMBL11386568 | 0.67 | — | — | |
| SCHEMBL11054555 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL11037652 | 0.65 | FDPS (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4344891-A | Halogenated tertiary alkyl isocyanates and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |
| EP-0025907-A1 | Halogenated tertiary alkyl isocyanates and process for their preparation | BASF Aktiengesellschaft (DE) | 1981-04-01 | — | — | EP | disclosed |