⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7966091 | 0.62 | — | — | |
| SCHEMBL9562196 | 0.48 | P2RX4 (0.44) | — | |
| Propionic Acid SCHEMBL28919819 | 0.46 | ALDH1A1 (0.43) | — | |
| SCHEMBL14825913 | 0.45 | LPO (0.44) | — | |
| SCHEMBL11603709 | 0.45 | TSHR (0.41) | — | |
| SCHEMBL27876489 | 0.44 | ALDH1A1 (0.46) | — | |
| SCHEMBL11056444 | 0.43 | KMT2A (0.46) | — | |
| SCHEMBL3630207 | 0.42 | P2RX4 (0.48) | — | |
| SCHEMBL320438 | 0.42 | P2RX4 (0.48) | — | |
| SCHEMBL3654048 | 0.42 | MYC (0.41) | — |
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-1995021171-A1 | TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 1995-08-10 | — | — | WO | disclosed |