⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10549246 | 1.00 | — | — | |
| SCHEMBL29113232 | 0.92 | CA12 (0.43) | — | |
| SCHEMBL29113235 | 0.90 | CA12 (0.42) | — | |
| Formic Acid Methyl Ester SCHEMBL27841730 | 0.89 | CA12 (0.41) | — | |
| Acetic Acid SCHEMBL27841728 | 0.89 | KDM4C (0.41) | — | |
| SCHEMBL11541406 | 0.85 | PTGS1 (0.51) | — | |
| SCHEMBL5700142 | 0.82 | — | — | |
| SCHEMBL2538708 | 0.78 | CA12 (0.53) | — | |
| SCHEMBL4959255 | 0.78 | PTGS1 (0.36) | — | |
| SCHEMBL28241824 | 0.77 | — | — |
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-4076423-A1 | TRPML MODULATORS | Casma Therapeutics, Inc. (US) | 2022-10-26 | — | — | EP | disclosed |
| WO-2022070289-A1 | NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE | 旭化成ファーマ株式会社 | 2022-04-07 | — | — | WO | disclosed |