⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8950143 | 0.84 | — | — | |
| SCHEMBL6513933 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL1615600 | 0.83 | — | — | |
| SCHEMBL16949666 | 0.76 | SHBG (0.41) | — | |
| SCHEMBL10939689 | 0.74 | SHBG (0.44) | — | |
| SCHEMBL460663 | 0.74 | SHBG (0.44) | — | |
| Hydrochloric Acid SCHEMBL11558216 | 0.72 | SHBG (0.43) | — | |
| SCHEMBL5050587 | 0.68 | GNAI3 (0.30) | — | |
| SCHEMBL28720723 | 0.68 | KDM4E (0.35) | — | |
| Isopropylamine SCHEMBL28349866 | 0.67 | OPRM1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4107133-A | ORGANIC PIGMENT, ORGANOSILANE OR ORGANOTITANIUM COMPOUND | DAINIPPON INK & CHEMICALS, INC. (JP) | 1978-08-15 | — | — | US | claimed |