⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10911618 | 0.89 | — | — | |
| SCHEMBL8927140 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL10664284 | 0.82 | — | — | |
| SCHEMBL19253665 | 0.76 | — | — | |
| SCHEMBL10928090 | 0.72 | — | — | |
| SCHEMBL104991 | 0.70 | — | — | |
| SCHEMBL21782567 | 0.70 | — | — | |
| SCHEMBL20665906 | 0.70 | — | — | |
| SCHEMBL19322788 | 0.70 | — | — | |
| SCHEMBL13952857 | 0.70 | — | — |
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-0057772-B1 | HALOGENATED, TERTIARY DIISOCYANATES AND PROCESS FOR THEIR PREPARATION | BASF Aktiengesellschaft (DE) | 1985-03-13 | — | — | EP | disclosed |
| US-4439369-A | Halogenated, tertiary diisocyanates and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1984-03-27 | — | — | US | disclosed |
| EP-0057772-A2 | Halogenated, tertiary diisocyanates and process for their preparation | BASF Aktiengesellschaft (DE) | 1982-08-18 | — | — | EP | disclosed |