⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13890435 | 0.88 | DRD2 (0.31) | — | |
| SCHEMBL24733195 | 0.78 | — | — | |
| SCHEMBL840385 | 0.78 | — | — | |
| SCHEMBL12368091 | 0.71 | — | — | |
| SCHEMBL840435 | 0.71 | DRD2 (0.30) | — | |
| SCHEMBL19446288 | 0.67 | SIGMAR1 (0.32) | — | |
| SCHEMBL1116069 | 0.67 | — | — | |
| SCHEMBL12047441 | 0.67 | — | — | |
| SCHEMBL5962379 | 0.66 | — | — | |
| SCHEMBL9682854 | 0.66 | — | — |
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-20230374042-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. | 2023-11-23 | — | — | US | disclosed |
| EP-2751111-B1 | Asymmetrical bis-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one) derivatives for the treatment of proliferative or autoimmune diseases | MEDIMMUNE LTD (GB) | 2017-04-26 | — | — | EP | disclosed |
| US-8153793-B2 | Sulfonamide derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-7842692-B2 | Azaindole derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2010-11-30 | — | — | US | disclosed |
| US-20090197881-A1 | Azaindole Derivative Having PGD2 Receptor Antagonistic Activity | SHIONOGI & CO., LTD. (JP) | 2009-08-06 | — | — | US | disclosed |