⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL11589784 | 0.75 | CYP1A2 (0.52) | — | |
| SCHEMBL11732594 | 0.75 | — | — | |
| SCHEMBL10200208 | 0.75 | — | — | |
| SCHEMBL851824 | 0.75 | — | — | |
| SCHEMBL703179 | 0.74 | CYP1A2 (0.57) | — | |
| Hydrochloric Acid SCHEMBL849818 | 0.73 | — | — | |
| Bromide SCHEMBL8605247 | 0.73 | — | — | |
| SCHEMBL3468424 | 0.72 | CYP1A2 (0.55) | — | |
| SCHEMBL4197495 | 0.72 | CYP1A2 (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL2167059 | 0.72 | CYP1A2 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005089764-A9 | CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS | PTC THERAPEUTICS INC (US) | 2007-09-13 | — | — | WO | disclosed |