⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18823383 | 1.00 | — | — | |
| SCHEMBL18712322 | 1.00 | — | — | |
| SCHEMBL10433346 | 0.83 | — | — | |
| SCHEMBL6826702 | 0.83 | — | — | |
| SCHEMBL9760970 | 0.78 | AKR1B1 (0.36) | — | |
| SCHEMBL6827518 | 0.77 | ADH1B (0.39) | — | |
| SCHEMBL12438431 | 0.76 | ADH1B (0.33) | — | |
| SCHEMBL30443114 | 0.73 | AKR1B1 (0.37) | — | |
| SCHEMBL19191850 | 0.73 | AKR1B1 (0.32) | — | |
| SCHEMBL105725 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2017075495-A1 | SSTR-TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF | TARVEDA THERAPEUTICS, INC. (US) | 2017-05-04 | — | — | WO | disclosed |