⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17315641 | 0.98 | — | — | |
| SCHEMBL18769426 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL18742464 | 0.92 | — | — | |
| SCHEMBL11971724 | 0.90 | ACHE (0.46) | — | |
| Hydrochloric Acid SCHEMBL31486432 | 0.88 | HTR2C (0.47) | — | |
| SCHEMBL8765620 | 0.80 | HSD11B1 (0.55) | — | |
| SCHEMBL3029884 | 0.79 | OPRM1 (0.42) | — | |
| SCHEMBL16029802 | 0.78 | HDAC4 (0.50) | — | |
| SCHEMBL17929001 | 0.77 | CHRNA1 (0.42) | — | |
| SCHEMBL28173900 | 0.77 | HDAC4 (0.49) | — |
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-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |