⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL1925156 | 0.86 | — | — | |
| Methylhydrazine SCHEMBL7902871 | 0.78 | — | — | |
| Formic Acid SCHEMBL28249844 | 0.78 | — | — | |
| Methylhydrazine SCHEMBL28653031 | 0.75 | — | — | |
| Formic Acid SCHEMBL11153346 | 0.75 | — | — | |
| Formic Acid SCHEMBL11073136 | 0.75 | — | — | |
| Formic Acid SCHEMBL9472719 | 0.75 | — | — | |
| Formic Acid SCHEMBL139759 | 0.75 | — | — | |
| Formic Acid SCHEMBL11592629 | 0.75 | — | — | |
| Formic Acid SCHEMBL6684167 | 0.74 | ALDH1A1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699075-A | Spirocyclic derivatives | 巴斯夫欧洲公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-104955821-B | Diazanyl benzazolyl compounds and conjugate | 雷德伍德生物科技股份有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-104955821-A | Hydrazinyl-indole compounds and conjugates | REDWOOD BIOSCIENCE INC | 2015-09-30 | — | — | CN | disclosed |