⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8296936 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1229520 | 0.98 | CA1 (0.40) | — | |
| SCHEMBL27863219 | 0.93 | CA1 (0.50) | — | |
| SCHEMBL10185778 | 0.91 | SPHK1 (0.48) | — | |
| SCHEMBL172831 | 0.91 | SPHK1 (0.48) | — | |
| SCHEMBL12566014 | 0.91 | SPHK1 (0.48) | — | |
| SCHEMBL2698591 | 0.91 | SPHK1 (0.48) | — | |
| SCHEMBL172766 | 0.91 | SPHK1 (0.48) | — | |
| SCHEMBL28842476 | 0.91 | SPHK1 (0.48) | — | |
| SCHEMBL18464396 | 0.91 | SPHK1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024073042-A1 | OCULAR DELIVERY OF THERAPEUTIC AGENTS | ENTRADA THERAPEUTICS, INC. (US) | 2024-04-04 | — | — | WO | disclosed |
| WO-2021064142-A1 | HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER | TOLREMO THERAPEUTICS AG (CH) | 2021-04-08 | — | — | WO | disclosed |