⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL133066 | 0.80 | — | — | |
| SCHEMBL13456897 | 0.74 | — | — | |
| Ethane SCHEMBL27452275 | 0.72 | — | — | |
| SCHEMBL10648653 | 0.70 | — | — | |
| SCHEMBL143690 | 0.70 | — | — | |
| SCHEMBL26587 | 0.69 | — | — | |
| Alcohol SCHEMBL35892 | 0.69 | — | — | |
| Fluoride SCHEMBL1813543 | 0.67 | — | — | |
| SCHEMBL260629 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL8950869 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230373999-A1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2023-11-23 | — | — | US | disclosed |
| WO-2006101454-A1 | BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS | S*BIO PTE LTD (SG) | 2006-09-28 | — | — | WO | disclosed |