⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11288 | 0.97 | — | — | |
| SCHEMBL15494454 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL25176856 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3986242 | 0.95 | — | — | |
| SCHEMBL31244467 | 0.95 | — | — | |
| SCHEMBL320576 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28901164 | 0.92 | MAP3K14 (0.46) | — | |
| Ethane SCHEMBL28857929 | 0.92 | MAP3K14 (0.46) | — | |
| Bicarbonate SCHEMBL14918 | 0.90 | MAP3K14 (0.44) | — | |
| Oxalic Acid SCHEMBL9728854 | 0.88 | MAP3K14 (0.43) | — |
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-2020165031-A1 | SUBSTITUTED ISOQUINOLINE-PIPERIDINYLMETHANONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-20 | — | — | WO | disclosed |