⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4852359 | 1.00 | — | — | |
| SCHEMBL19456075 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22528119 | 0.97 | — | — | |
| SCHEMBL22691288 | 0.92 | — | — | |
| SCHEMBL16211939 | 0.83 | — | — | |
| SCHEMBL16224521 | 0.83 | — | — | |
| SCHEMBL20147261 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL16211575 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL16211573 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL17510231 | 0.81 | — | — |
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-2023173017-A1 | KRAS INHIBITORS FOR TREATING DISEASE | BLOSSOMHILL THERAPEUTICS, INC. (US) | 2023-09-14 | — | — | WO | disclosed |