⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24731061 | 1.00 | — | — | |
| SCHEMBL24731156 | 1.00 | — | — | |
| SCHEMBL24730691 | 0.77 | ADRA2A (0.31) | — | |
| SCHEMBL18366089 | 0.67 | NPC1 (0.30) | — | |
| SCHEMBL24730960 | 0.67 | — | — | |
| SCHEMBL24069305 | 0.67 | PDPK1 (0.36) | — | |
| SCHEMBL9678234 | 0.66 | — | — | |
| SCHEMBL24730680 | 0.66 | — | — | |
| SCHEMBL24730822 | 0.64 | MAPKAPK2 (0.34) | — | |
| SCHEMBL24730818 | 0.64 | MAPKAPK2 (0.34) | — |
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 6 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 |
| US-11912723-B2 | KRAS modulators and uses thereof | QUANTA THERAPEUTICS, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| US-20230374042-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. | 2023-11-23 | — | — | US | disclosed |
| US-20230374042-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. | 2023-11-23 | — | — | US | disclosed |
| WO-2023154766-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |
| WO-2022247770-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海璎黎药业有限公司 | 2022-12-01 | — | — | WO | disclosed |