⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18473301 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL5831499 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL22877105 | 0.65 | CA12 (0.30) | — | |
| SCHEMBL17201471 | 0.60 | — | — | |
| SCHEMBL2181354 | 0.59 | — | — | |
| SCHEMBL3960199 | 0.59 | — | — | |
| SCHEMBL15422 | 0.59 | — | — | |
| SCHEMBL12978556 | 0.58 | — | — | |
| SCHEMBL9243970 | 0.58 | — | — | |
| SCHEMBL50390 | 0.58 | ALDH1A1 (0.30) | — |
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-11005045-B2 | Ladder tetrazine polymers | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2021-05-11 | — | — | US | disclosed |
| US-10003026-B2 | Ladder tetrazine polymers | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2018-06-19 | — | — | US | disclosed |
| US-20170358748-A1 | LADDER TETRAZINE POLYMERS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2017-12-14 | — | — | US | disclosed |
| US-20170358749-A1 | LADDER TETRAZINE POLYMERS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2017-12-14 | — | — | US | disclosed |