⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL162478 | 0.98 | — | — | |
| SCHEMBL29441943 | 0.98 | — | — | |
| Ethane SCHEMBL28312959 | 0.95 | KMT2A (0.56) | — | |
| Hydrochloric Acid SCHEMBL27638818 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL29091464 | 0.95 | KMT2A (0.56) | — | |
| Hydrochloric Acid SCHEMBL9647740 | 0.95 | KMT2A (0.56) | — | |
| SCHEMBL2496141 | 0.95 | — | — | |
| Methyl Alcohol SCHEMBL29210207 | 0.93 | KMT2A (0.59) | — | |
| Hydrazine SCHEMBL27403337 | 0.93 | KMT2A (0.54) | — | |
| Ethyne SCHEMBL27176503 | 0.93 | KMT2A (0.54) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105164121-A | Perfluorinated cyclopropyl-fused 1, 3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use thereof | AMGEN INC | 2015-12-16 | — | — | CN | disclosed |