⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4457855 | 0.79 | — | — | |
| SCHEMBL27779693 | 0.72 | MAPT (0.48) | — | |
| SCHEMBL27758359 | 0.72 | MAPT (0.48) | — | |
| SCHEMBL27758489 | 0.72 | MAPT (0.48) | — | |
| SCHEMBL27758347 | 0.72 | MAPT (0.48) | — | |
| SCHEMBL27186007 | 0.71 | TRPA1 (0.32) | — | |
| SCHEMBL231277 | 0.71 | — | — | |
| SCHEMBL332238 | 0.71 | — | — | |
| SCHEMBL28855341 | 0.69 | — | — | |
| SCHEMBL28018492 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0025552-B1 | PROCESS FOR THE PREPARATION OF 1-HALOALKYL ISOCYANATES AND 1-ALKENYL ISOCYANATES | BASF Aktiengesellschaft (DE) | 1983-09-21 | — | — | EP | disclosed |
| US-4314948-A | Preparation of mixtures of 1-monohalogenated isocyanates and 1,2-unsaturated isocyanates | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-09 | — | — | US | disclosed |
| US-4294773-A | Preparation of 1-haloalkyl isocyanates and 1-alkenyl isocyanates | BASF AKTIENGESELLSCHAFT (DE) | 1981-10-13 | — | — | US | disclosed |
| EP-0025906-A1 | 1-Monohalogenated isocyanates; process for the preparation of mixtures of 1-monohalogenated isocyanates and 1-2-unsaturated isocyanates | BASF Aktiengesellschaft (DE) | 1981-04-01 | — | — | EP | disclosed |
| EP-0025552-A1 | Process for the preparation of 1-haloalkyl isocyanates and 1-alkenyl isocyanates | BASF Aktiengesellschaft (DE) | 1981-03-25 | — | — | EP | disclosed |