⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7426721 | 0.78 | — | — | |
| SCHEMBL3945997 | 0.76 | — | — | |
| SCHEMBL14889066 | 0.75 | — | — | |
| SCHEMBL9978972 | 0.75 | — | — | |
| SCHEMBL12489591 | 0.74 | — | — | |
| SCHEMBL9039250 | 0.72 | GAA (0.35) | — | |
| SCHEMBL4896035 | 0.71 | — | — | |
| SCHEMBL31093366 | 0.70 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL4584063 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9459646 | 0.69 | KMT2A (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3389664-A1 | CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF | Raze Therapeutics Inc. (US) | 2018-10-24 | — | — | EP | disclosed |
| WO-2017106352-A1 | CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-06-22 | — | — | WO | disclosed |