⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17320626 | 0.74 | PDE2A (0.41) | — | |
| SCHEMBL12124170 | 0.71 | MAPT (0.35) | — | |
| SCHEMBL16381522 | 0.66 | ACHE (0.35) | — | |
| SCHEMBL17678867 | 0.64 | ELANE (0.38) | — | |
| SCHEMBL15763 | 0.62 | CYP1A2 (0.43) | — | |
| SCHEMBL25994740 | 0.60 | CYP1A2 (0.42) | — | |
| SCHEMBL10406762 | 0.60 | CYP1A2 (0.42) | — | |
| SCHEMBL17456072 | 0.60 | CYP1A2 (0.42) | — | |
| SCHEMBL25021212 | 0.57 | ESR1 (0.41) | — | |
| SCHEMBL19719140 | 0.57 | SMN1; SMN2 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9212261-B2 | Polymers, their method of manufacture and use thereof | THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) | 2015-12-15 | — | — | US | disclosed |
| US-9212261-B2 | Polymers, their method of manufacture and use thereof | THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) | 2015-12-15 | — | — | US | disclosed |
| US-20130172433-A1 | Polymers, Their Method of Manufacture and Use Thereof | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (UK) | 2013-07-04 | — | — | US | disclosed |
| US-20130172433-A1 | Polymers, Their Method of Manufacture and Use Thereof | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (UK) | 2013-07-04 | — | — | US | disclosed |