⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10960990 | 0.81 | — | — | |
| SCHEMBL4849884 | 0.81 | — | — | |
| SCHEMBL7591423 | 0.81 | — | — | |
| SCHEMBL60363 | 0.78 | — | — | |
| SCHEMBL503976 | 0.77 | MCL1 (0.40) | — | |
| SCHEMBL23219800 | 0.76 | — | — | |
| SCHEMBL9442174 | 0.76 | — | — | |
| SCHEMBL11526163 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL10022892 | 0.74 | — | — | |
| SCHEMBL6264628 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4259231-A | ACRYLIC ISOCYANATE CURABLE WITH MOISTURE | NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1981-03-31 | — | — | US | claimed |
| US-4841087-A | DISSOLVING ACRYLONITRILE IN SOLVENT WITH ORGANIC PHOSPHORUS(III) CATALYST TO PRODUCE 1,4 DICYANOBUTENES | MONSANTO COMPANY (US) | 1989-06-20 | — | — | US | disclosed |
| US-4259231-A | ACRYLIC ISOCYANATE CURABLE WITH MOISTURE | NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1981-03-31 | — | — | US | disclosed |