⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12435 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL28323834 | 0.93 | — | — | |
| Piperazine SCHEMBL317436 | 0.93 | HIF1A (0.43) | — | |
| Bromide SCHEMBL29204958 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL8127400 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL2857631 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL4637189 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL4637190 | 0.90 | NOS2 (0.38) | — | |
| Hno SCHEMBL27970837 | 0.87 | — | — | |
| Dimethylamine SCHEMBL944153 | 0.87 | NOS2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428708-A | Benzoxazine low temperature cure composition | 亨斯迈先进材料美国有限责任公司 | 2017-12-01 | — | — | CN | disclosed |