⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4048169 | 0.92 | — | — | |
| SCHEMBL10945268 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL4052976 | 0.75 | — | — | |
| SCHEMBL20597518 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL8029318 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL7033691 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL11674706 | 0.74 | ALDH1A1 (0.42) | — | |
| 1,4-Butanediol SCHEMBL18642509 | 0.73 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL324322 | 0.73 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL18642519 | 0.73 | SMN1; SMN2 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009105962-A1 | LEATHER TANNING PROCESS BASED ON THE RECYCLING OF POLY HYDROXYL ALKYL PHOSPHINE AND ITS DERIVATIVES | RHODIA-HENGCHANG (ZHANGJIAGANG) SPECIALTY CHEMICAL CO., LTD. (CN) | 2009-09-03 | — | — | WO | claimed |
| WO-2009105962-A1 | LEATHER TANNING PROCESS BASED ON THE RECYCLING OF POLY HYDROXYL ALKYL PHOSPHINE AND ITS DERIVATIVES | RHODIA-HENGCHANG (ZHANGJIAGANG) SPECIALTY CHEMICAL CO., LTD. (CN) | 2009-09-03 | — | — | WO | disclosed |