⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121301 | 0.98 | — | — | |
| SCHEMBL27714126 | 0.95 | — | — | |
| SCHEMBL28284197 | 0.95 | — | — | |
| SCHEMBL27734575 | 0.95 | — | — | |
| SCHEMBL5484928 | 0.95 | — | — | |
| SCHEMBL15012698 | 0.95 | — | — | |
| Water SCHEMBL28313135 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1128589 | 0.95 | — | — | |
| Bromide SCHEMBL31321998 | 0.95 | — | — | |
| Water SCHEMBL15012697 | 0.93 | ALDH1A1 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103992310-B | One group replaces benzo heterocyclic amine derivant and preparation method thereof and the related application as IMPDH inhibitor | 中国医学科学院医药生物技术研究所 | 2016-07-06 | — | — | CN | disclosed |
| CN-103992310-A | Group of substituted benzoheterocycle amine derivatives and preparation method and related application thereof as IMPDH (inosine monophosphate dehydrogenase) inhibitor | INST MEDICINAL BIOTECHNOLOGY | 2014-08-20 | — | — | CN | disclosed |