⚠ 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 | |
|---|---|---|---|---|
| Urethane SCHEMBL29045342 | 0.97 | — | — | |
| Urethane SCHEMBL27632514 | 0.97 | ALOX15 (1.00) | — | |
| Urethane SCHEMBL8129017 | 0.97 | ALOX15 (1.00) | — | |
| Urethane SCHEMBL8505249 | 0.97 | ALOX15 (1.00) | — | |
| Urethane SCHEMBL367439 | 0.97 | ALOX15 (1.00) | — | |
| Urethane SCHEMBL8830978 | 0.97 | ALOX15 (1.00) | — | |
| Urethane SCHEMBL8136 | 0.97 | — | — | |
| Urethane SCHEMBL6659363 | 0.94 | — | — | |
| Urethane SCHEMBL6290773 | 0.94 | — | — | |
| Urethane SCHEMBL17556585 | 0.94 | — | — |
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-4169196-A | REMOVAL OF PEROXIDES FROM DIOL COMPONENT BY TREATMENT WITH TRIVALENT PHOSPHORUS COMPOUND PRIOR TO REACTION WITH DIISOCYANATE | THE UPJOHN COMPANY (US) | 1979-09-25 | — | — | US | disclosed |
| US-4169196-A | REMOVAL OF PEROXIDES FROM DIOL COMPONENT BY TREATMENT WITH TRIVALENT PHOSPHORUS COMPOUND PRIOR TO REACTION WITH DIISOCYANATE | THE UPJOHN COMPANY (US) | 1979-09-25 | — | — | US | disclosed |