⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL259594 | 0.83 | TSHR (0.48) | — | |
| SCHEMBL9232262 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL168192 | 0.77 | — | — | |
| SCHEMBL28759532 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL7165464 | 0.76 | — | — | |
| SCHEMBL26217 | 0.76 | — | — | |
| Urea SCHEMBL27709911 | 0.75 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL28045867 | 0.75 | — | — | |
| Bromide SCHEMBL28449390 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11660494 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114805694-A | High-rigidity, high-strength and high-toughness lubricating copolymer hydrogel and preparation method and application thereof | 天津大学 | 2022-07-29 | — | — | CN | claimed |
| CN-114805694-A | High-rigidity, high-strength and high-toughness lubricating copolymer hydrogel and preparation method and application thereof | 天津大学 | 2022-07-29 | — | — | CN | disclosed |
| WO-2010147973-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010147975-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2010-12-23 | — | — | WO | disclosed |