⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28909632 | 0.69 | — | — | |
| SCHEMBL10445233 | 0.66 | — | — | |
| SCHEMBL283272 | 0.64 | — | — | |
| SCHEMBL9815821 | 0.64 | — | — | |
| SCHEMBL11585392 | 0.64 | — | — | |
| SCHEMBL8522405 | 0.63 | — | — | |
| SCHEMBL2512722 | 0.63 | — | — | |
| SCHEMBL29948174 | 0.61 | — | — | |
| SCHEMBL11371672 | 0.60 | — | — | |
| SCHEMBL10901291 | 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 |
|---|---|---|---|---|---|---|---|
| US-6093852-A | Process for preparing 4,6-diamino-resorcinol dihydrochloride | BAYER AKTIENGESELLSCHAFT (DE) | 2000-07-25 | — | — | US | disclosed |
| US-5574188-A | NITRATING DICHLOROBENZENE, DIBENZYLOXY INTERMEDIATE, MULTISTEP | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-12 | — | — | US | disclosed |