⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL99203 | 0.95 | — | — | |
| SCHEMBL99204 | 0.95 | — | — | |
| SCHEMBL100060 | 0.95 | — | — | |
| SCHEMBL18941632 | 0.90 | ALDH1A1 (0.35) | — | |
| SCHEMBL18941521 | 0.90 | ALDH1A1 (0.35) | — | |
| SCHEMBL18941634 | 0.90 | ALDH1A1 (0.35) | — | |
| SCHEMBL9235218 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL9235214 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL18941597 | 0.85 | FAAH (0.38) | — | |
| SCHEMBL18941592 | 0.85 | TRPV1 (0.34) | — |
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-2020189201-A1 | METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN | 三菱ケミカル株式会社 | 2020-09-24 | — | — | WO | disclosed |