⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3395919 | 0.85 | L3MBTL1 (0.43) | — | |
| SCHEMBL3208606 | 0.84 | TPMT (0.48) | — | |
| SCHEMBL6162544 | 0.84 | TPMT (0.48) | — | |
| SCHEMBL3393415 | 0.83 | TP53 (0.36) | — | |
| SCHEMBL5555845 | 0.82 | TDP1 (0.40) | — | |
| SCHEMBL9381338 | 0.80 | S1PR2 (0.39) | — | |
| Butanedione SCHEMBL28856348 | 0.79 | FURIN (0.38) | — | |
| SCHEMBL84542 | 0.77 | CES1 (0.46) | — | |
| SCHEMBL11139683 | 0.77 | CES1 (0.46) | — | |
| SCHEMBL9653172 | 0.76 | LMNA (0.41) | — |
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-8772540-B2 | Thermal responsive molecule | KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) | 2014-07-08 | — | — | US | disclosed |
| US-20110124916-A1 | THERMAL RESPONSIVE MOLECULE | KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) | 2011-05-26 | — | — | US | disclosed |