⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17506485 | 0.83 | LMNA (0.43) | — | |
| SCHEMBL17502740 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL17502732 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL17502728 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL17502609 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL17502706 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL17502719 | 0.81 | LMNA (0.42) | — | |
| SCHEMBL17509528 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL17509532 | 0.79 | — | — | |
| SCHEMBL11201987 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39679-E1 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-06-05 | — | — | US | claimed |
| WO-2016025194-A1 | COMBINED INTERNAL DONOR SYSTEM FOR ZIEGLER-NATTA POLYOLEFIN CATALYSTS AND METHODS OF MAKING AND USING SAME | BASF CORPORATION (US) | 2016-02-18 | — | — | WO | disclosed |