⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11222116 | 0.90 | — | — | |
| SCHEMBL6064756 | 0.88 | — | — | |
| SCHEMBL28343153 | 0.87 | NAAA (0.31) | — | |
| SCHEMBL9913337 | 0.85 | — | — | |
| SCHEMBL11041089 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL12866831 | 0.80 | GGPS1 (0.36) | — | |
| SCHEMBL3337943 | 0.80 | — | — | |
| SCHEMBL11430026 | 0.76 | — | — | |
| SCHEMBL14703092 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL15005558 | 0.75 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0025907-B1 | HALOGENATED TERTIARY ALKYL ISOCYANATES AND PROCESS FOR THEIR PREPARATION | BASF Aktiengesellschaft (DE) | 1984-06-20 | — | — | EP | disclosed |
| 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 |