⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10783142 | 0.88 | — | — | |
| SCHEMBL11806803 | 0.86 | — | — | |
| Cyclohexane SCHEMBL5450052 | 0.79 | — | — | |
| SCHEMBL48705 | 0.79 | — | — | |
| SCHEMBL9796432 | 0.78 | — | — | |
| SCHEMBL1758459 | 0.78 | ALDH1A1 (0.32) | — | |
| Cyclohexane SCHEMBL5495897 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL1081546 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL19732912 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL44332 | 0.78 | ALDH1A1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2975072-B1 | LOW REPULSION POLYURETHANE FOAM AND METHOD FOR PRODUCING SAME | MITSUI CHEMICALS INC (JP) | 2017-12-27 | — | — | EP | claimed |