⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29859818 | 0.82 | — | — | |
| SCHEMBL14722063 | 0.82 | — | — | |
| SCHEMBL1357 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL1803720 | 0.73 | — | — | |
| SCHEMBL3248062 | 0.73 | — | — | |
| Methane SCHEMBL1005333 | 0.73 | — | — | |
| Fluoride SCHEMBL8137697 | 0.73 | — | — | |
| SCHEMBL1519002 | 0.73 | — | — | |
| Lithium SCHEMBL318376 | 0.73 | — | — | |
| SCHEMBL7105669 | 0.73 | — | — |
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-6307096-B1 | ALIPHATIC DIISOCYANATE COMPONENT CAN BE SELECTIVELY EXTRACTED FROM WASTE STREAMS WITH SUPERCRITICAL FLUID EXTRACTION TECHNIQUES UNDER CERTAIN CONDITIONS. | BAYER CORPORATION | 2001-10-23 | — | — | US | disclosed |
| EP-1113003-A1 | Method for making aliphatic diisocyanates | Bayer Corporation (US) | 2001-07-04 | — | — | EP | disclosed |