⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1196145 | 0.75 | — | — | |
| SCHEMBL31414859 | 0.74 | — | — | |
| SCHEMBL78328 | 0.74 | — | — | |
| SCHEMBL15966646 | 0.71 | — | — | |
| SCHEMBL1787707 | 0.69 | — | — | |
| SCHEMBL1787704 | 0.69 | — | — | |
| SCHEMBL834039 | 0.69 | — | — | |
| SCHEMBL20636798 | 0.69 | — | — | |
| SCHEMBL165104 | 0.67 | — | — | |
| SCHEMBL43884 | 0.67 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4455260-A | Preparation of alk-1-enyl isocyanates | BASF AKTIENGESELLSCHAFT (DE) | 1984-06-19 | — | — | US | disclosed |
| EP-0033720-B1 | ESTERS, THIOESTERS AND AMIDES OF THIOXANTHONE CARBONXYLIC ACID, THEIR USE AS SENSITIZERS OR PHOTO INITIATORS AND POLYMERS | CIBA-GEIGY AG (CH) | 1984-03-07 | — | — | EP | disclosed |
| EP-0086424-A1 | Method for the preparation of 1-alkenylisocyanates | BASF Aktiengesellschaft (DE) | 1983-08-24 | — | — | EP | disclosed |
| US-4294773-A | Preparation of 1-haloalkyl isocyanates and 1-alkenyl isocyanates | BASF AKTIENGESELLSCHAFT (DE) | 1981-10-13 | — | — | US | disclosed |
| EP-0025552-A1 | Process for the preparation of 1-haloalkyl isocyanates and 1-alkenyl isocyanates | BASF Aktiengesellschaft (DE) | 1981-03-25 | — | — | EP | disclosed |