⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10942927 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL11854273 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL11764452 | 0.73 | CHRM2 (0.33) | — | |
| SCHEMBL10940881 | 0.71 | — | — | |
| SCHEMBL11761677 | 0.71 | CYP3A4 (0.38) | — | |
| SCHEMBL10942922 | 0.70 | TRPA1 (0.45) | — | |
| SCHEMBL10939412 | 0.69 | CYP3A4 (0.34) | — | |
| SCHEMBL11864540 | 0.69 | CYP3A4 (0.33) | — | |
| SCHEMBL10918052 | 0.68 | KIF11 (0.31) | — | |
| SCHEMBL11657467 | 0.68 | CYP3A4 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0092454-B1 | HALOGENATED AROMATIC ISOCYANATES OR THEIR MIXTURES HAVING A DIPHENYL-METHANE STRUCTURE | ELF ATOCHEM S.A. (FR) | 1985-11-27 | — | — | EP | claimed |