⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL371050 | 0.70 | GAA (0.38) | — | |
| SCHEMBL2845070 | 0.68 | — | — | |
| SCHEMBL28219726 | 0.62 | — | — | |
| SCHEMBL603324 | 0.61 | TP53 (0.32) | — | |
| SCHEMBL576749 | 0.61 | CA1 (0.31) | — | |
| SCHEMBL19389716 | 0.60 | LMNA (0.32) | — | |
| SCHEMBL17662035 | 0.60 | LMNA (0.32) | — | |
| SCHEMBL10431766 | 0.60 | LMNA (0.32) | — | |
| SCHEMBL981929 | 0.59 | — | — | |
| SCHEMBL28217338 | 0.59 | LMNA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107001558-A | Self-repairing urethane resin raw material, self-repairing urethane resin, self-repairing coating material, self-repairing elastomer material, method for producing self-repairing urethane resin raw material, and method for producing self-repairing urethane resin | 三井化学株式会社 | 2017-08-01 | — | — | CN | disclosed |
| CN-107001557-A | Self-repairing urethane resin raw material, self-repairing urethane resin, self-repairing coating material, self-repairing elastomer material, method for producing self-repairing urethane resin raw material, and method for producing self-repairing urethane resin | 三井化学株式会社 | 2017-08-01 | — | — | CN | disclosed |