⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9548582 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL9561357 | 0.86 | HTT (0.32) | — | |
| SCHEMBL9548580 | 0.74 | HTT (0.30) | — | |
| SCHEMBL2218141 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL9548577 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL11656740 | 0.72 | HTT (0.31) | — | |
| SCHEMBL9548597 | 0.71 | LMNA (0.38) | — | |
| SCHEMBL11153792 | 0.71 | HTT (0.30) | — | |
| SCHEMBL9548583 | 0.71 | LMNA (0.38) | — | |
| SCHEMBL10633499 | 0.71 | ALDH1A1 (0.36) | — |
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-5194103-A | Plasticizers in plastic bonded explosives | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1993-03-16 | — | — | US | disclosed |