⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7120799 | 0.99 | — | — | |
| SCHEMBL7120795 | 0.83 | — | — | |
| SCHEMBL7633864 | 0.77 | GPR3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL7126367 | 0.76 | GPR3 (0.38) | — | |
| SCHEMBL7121839 | 0.75 | — | — | |
| SCHEMBL7643266 | 0.74 | PNMT (0.31) | — | |
| Hydrochloric Acid SCHEMBL8382780 | 0.74 | PNMT (0.34) | — | |
| Hydrochloric Acid SCHEMBL7121843 | 0.74 | PNMT (0.33) | — | |
| SCHEMBL7125688 | 0.74 | PNMT (0.30) | — | |
| SCHEMBL7635162 | 0.71 | — | — |
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-6451724-B1 | BIS(N-METHYL-5,10-DIHYDROINDENO(1,2-B)INDOL-10 -YL)TITANIUM DICHLORIDE | BASELL TECHNOLOGY COMPANY BV (NL) | 2002-09-17 | — | — | US | disclosed |