⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9635208 | 1.00 | — | — | |
| SCHEMBL9635288 | 0.91 | — | — | |
| SCHEMBL9635281 | 0.81 | CCNB2 (0.31) | — | |
| SCHEMBL692287 | 0.70 | NOS3 (0.44) | — | |
| SCHEMBL7015380 | 0.68 | — | — | |
| SCHEMBL11478657 | 0.66 | NOS3 (0.52) | — | |
| SCHEMBL9510708 | 0.66 | NPC1 (0.32) | — | |
| SCHEMBL9636555 | 0.66 | HPGD (0.37) | — | |
| SCHEMBL255954 | 0.65 | TSHR (0.44) | — | |
| Hydrochloric Acid SCHEMBL28694707 | 0.64 | TSHR (0.42) | — |
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-0368063-B1 | PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| US-4990707-A | Process for the ring chlorination of aromatic hydrocarbons | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| EP-0368063-A1 | Process for the chlorination in the nucleus of aromatic hydrocarbons | BAYER AG (DE) | 1990-05-16 | — | — | EP | disclosed |