⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19104622 | 0.79 | HDAC1 (0.30) | — | |
| SCHEMBL18545931 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL4171113 | 0.64 | PDK2 (0.33) | — | |
| SCHEMBL12107903 | 0.61 | HMGCR (0.41) | — | |
| SCHEMBL12114241 | 0.60 | HMGCR (0.38) | — | |
| SCHEMBL14033017 | 0.60 | NOS3 (0.34) | — | |
| SCHEMBL8082934 | 0.60 | HMGCR (0.34) | — | |
| SCHEMBL29314105 | 0.59 | HMGCR (0.36) | — | |
| SCHEMBL19121540 | 0.59 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL10193862 | 0.58 | DPP4 (0.43) | — |
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-20170133597-A1 | SEMICONDUCTING POLYMERS WITH MOBILITY APPROACHING ONE HUNDRED SQUARE CENTIMETERS PER VOLT PER SECOND | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-05-11 | — | — | US | disclosed |
| US-20170133611-A1 | FLUORINE SUBSTITUTION INFLUENCE ON BENZO[2,1,3]THIODIAZOLE BASED POLYMERS FOR FIELD-EFFECT TRANSISTOR APPLICATIONS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-05-11 | — | — | US | disclosed |