⚠ 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 | |
|---|---|---|---|---|
| Thiram SCHEMBL28493531 | 0.72 | ALDH1A1 (0.72) | — | |
| SCHEMBL486280 | 0.72 | ALDH1A1 (0.54) | — | |
| Thiram SCHEMBL27400380 | 0.69 | ALDH1A1 (0.93) | — | |
| Thiram SCHEMBL28506660 | 0.69 | ALDH1A1 (0.93) | — | |
| Thiram SCHEMBL28854042 | 0.69 | MGLL (0.65) | — | |
| Thiram SCHEMBL28079128 | 0.69 | ALDH1A1 (0.65) | — | |
| Thiram SCHEMBL28684645 | 0.67 | MGLL (0.87) | — | |
| SCHEMBL1618721 | 0.67 | — | — | |
| SCHEMBL165481 | 0.67 | ALDH1A1 (0.42) | — | |
| Thiram SCHEMBL21144 | 0.65 | ALDH1A1 (1.00) | — |
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-2011152471-A2 | RECHARGEABLE BATTERY, FUNCTIONAL POLYMER, AND METHOD FOR SYNTHESIS THEREOF | 株式会社ポリチオン (JP) | 2011-12-08 | — | — | WO | disclosed |