⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10109661 | 0.76 | ESR1 (0.37) | — | |
| SCHEMBL26227708 | 0.67 | ESR1 (0.42) | — | |
| SCHEMBL18752234 | 0.64 | ESR1 (0.34) | — | |
| SCHEMBL17974163 | 0.62 | ESR1 (0.40) | — | |
| SCHEMBL16692248 | 0.61 | ABCB1 (0.49) | — | |
| SCHEMBL17193493 | 0.61 | ABCB1 (0.49) | — | |
| SCHEMBL11654650 | 0.60 | HTR2C (0.48) | — | |
| SCHEMBL10109666 | 0.59 | ESR1 (0.37) | — | |
| SCHEMBL10109653 | 0.59 | LMNA (0.42) | — | |
| SCHEMBL20402939 | 0.59 | CNR2 (0.40) | — |
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-20120074395-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | IDEMITSU KOSAN CO., LTD. (JP) | 2012-03-29 | — | — | US | disclosed |
| US-20120074395-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | IDEMITSU KOSAN CO., LTD. (JP) | 2012-03-29 | — | — | US | disclosed |