⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL240820 | 0.97 | — | — | |
| Water SCHEMBL2455729 | 0.94 | — | — | |
| SCHEMBL28322231 | 0.94 | — | — | |
| SCHEMBL28154044 | 0.94 | — | — | |
| Ethyne SCHEMBL28326719 | 0.91 | — | — | |
| SCHEMBL28321167 | 0.91 | — | — | |
| Benzene SCHEMBL2456086 | 0.91 | — | — | |
| Formaldehyde SCHEMBL14335688 | 0.88 | — | — | |
| Carbon Monoxide SCHEMBL1374697 | 0.88 | — | — | |
| Carbon Monoxide SCHEMBL968530 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5102918-A | Storage stability; smokeless foam | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 1992-04-07 | — | — | US | claimed |
| EP-0425710-B1 | METHOD OF PRODUCING MODIFIED ORGANIC POLYISOCYANATE | NIPPON POLYURETHANE KOGYO KK (JP) | 1996-01-24 | — | — | EP | disclosed |
| US-5102918-A | Storage stability; smokeless foam | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 1992-04-07 | — | — | US | disclosed |
| EP-0425710-A1 | METHOD OF PRODUCING MODIFIED ORGANIC POLYISOCYANATE | NIPPON POLYURETHANE INDUSTRY CO. LTD. (JP) | 1991-05-08 | — | — | EP | disclosed |