⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7914648 | 0.86 | CA1 (0.39) | — | |
| SCHEMBL10151503 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL14169605 | 0.81 | CA1 (0.34) | — | |
| SCHEMBL11853458 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL18923134 | 0.78 | — | — | |
| SCHEMBL7910927 | 0.78 | — | — | |
| SCHEMBL19934202 | 0.78 | — | — | |
| SCHEMBL20251028 | 0.75 | — | — | |
| SCHEMBL5553290 | 0.75 | — | — | |
| SCHEMBL24618358 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6201137-B1 | CONTACTING CRUDE TETRAHYDROFURAN WITH MINERAL ACID SELECTED FROM THE GROUP CONSISTING OF NITRIC ACID, SULFURIC ACID, AND PHOSPHORIC ACID, THEN INSTANTLY DISTILLATING | HODOGAYA CHEMICAL CO., LTD. (JP) | 2001-03-13 | — | — | US | disclosed |