⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21250630 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL27390564 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL18849939 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL23987798 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL18456671 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL24060812 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL20469989 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL19687493 | 0.97 | ALDH1A1 (0.47) | — | |
| SCHEMBL21572838 | 0.94 | ALDH1A1 (0.47) | — | |
| SCHEMBL24178064 | 0.92 | ALDH1A1 (0.53) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023220131-A2 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-11-16 | — | — | WO | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| EP-1615699-B1 | BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS | MERCK SHARP & DOHME (US) | 2010-03-24 | — | — | EP | disclosed |
| US-6280900-B1 | RADIATION SENSITIVE COMPOSITION WITH ALKALINE DEVELOPER SOLUBLE IN POLYMER COATED ON SUBSTRATE | JSR CORPORATION (JP) | 2001-08-28 | — | — | US | disclosed |
| US-3998808-A | INSECTICIDES, FUNGICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1976-12-21 | — | — | US | disclosed |