⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL28419726 | 0.86 | CAMK2A (0.32) | — | |
| SCHEMBL11451699 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL510195 | 0.76 | — | — | |
| SCHEMBL7525318 | 0.71 | TSHR (0.40) | — | |
| SCHEMBL28148255 | 0.69 | CAMK2A (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL5405105 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL9634098 | 0.65 | OR51E2 (0.38) | — | |
| Urea SCHEMBL187900 | 0.62 | OR51E2 (0.40) | — | |
| SCHEMBL4359372 | 0.62 | — | — | |
| SCHEMBL6026516 | 0.61 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023127751-A1 | WATER REPELLENT COMPOSITION AND METHOD FOR PRODUCING SAME, AND WATER REPELLENT FIBER PRODUCT AND METHOD FOR PRODUCING SAME | 日華化学株式会社 | 2023-07-06 | — | — | WO | disclosed |