⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26302560 | 0.79 | CHRNB2 (0.30) | — | |
| SCHEMBL26890150 | 0.79 | — | — | |
| SCHEMBL26302553 | 0.79 | — | — | |
| SCHEMBL26302719 | 0.78 | PDCD1LG2 (0.31) | — | |
| SCHEMBL26302715 | 0.77 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL26302724 | 0.76 | — | — | |
| SCHEMBL26869599 | 0.75 | — | — | |
| SCHEMBL26890197 | 0.74 | — | — | |
| SCHEMBL26311185 | 0.73 | — | — | |
| SCHEMBL26302551 | 0.72 | GAA (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11912723-B2 | KRAS modulators and uses thereof | QUANTA THERAPEUTICS, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| WO-2023230190-A1 | PYRIMIDINE BASED MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. (US) | 2023-11-30 | — | — | WO | disclosed |
| US-20230374042-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. | 2023-11-23 | — | — | US | disclosed |