⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9510038 | 0.81 | AHR (0.33) | — | |
| SCHEMBL10857548 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL11506025 | 0.75 | CA1 (0.32) | — | |
| SCHEMBL9510158 | 0.68 | AHR (0.37) | — | |
| SCHEMBL9511191 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL11610359 | 0.67 | — | — | |
| SCHEMBL21046987 | 0.63 | CYP3A4 (0.45) | — | |
| SCHEMBL3015389 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL6680418 | 0.58 | CA1 (0.38) | — | |
| SCHEMBL6676892 | 0.58 | CA12 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |