⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8071674 | 0.73 | — | — | |
| SCHEMBL22861522 | 0.73 | CYP2C19 (0.32) | — | |
| SCHEMBL1412786 | 0.71 | — | — | |
| SCHEMBL19176875 | 0.69 | — | — | |
| SCHEMBL8995932 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL15305274 | 0.69 | CA12 (0.40) | — | |
| SCHEMBL24811243 | 0.67 | — | — | |
| SCHEMBL10138648 | 0.67 | — | — | |
| SCHEMBL19273753 | 0.67 | — | — | |
| SCHEMBL15334624 | 0.67 | — | — |
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-9315671-B2 | Bay-annulated indigo (BAI) as an excellent electron accepting building block for high performance organic semiconductors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-04-19 | — | — | US | disclosed |