⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51798 | 0.95 | — | — | |
| SCHEMBL9092312 | 0.90 | — | — | |
| Water SCHEMBL28298921 | 0.90 | — | — | |
| SCHEMBL27432778 | 0.90 | — | — | |
| SCHEMBL28167167 | 0.90 | — | — | |
| SCHEMBL28037114 | 0.82 | — | — | |
| Butane SCHEMBL19927243 | 0.79 | — | — | |
| SCHEMBL19927010 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL3407276 | 0.76 | — | — | |
| SCHEMBL28118483 | 0.76 | — | — |
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-8012578-B2 | Method for producing composite materials | DEUTSCHES WOLLFORSCHUNGSINSTITUT AN DER RWTH AACHEN E.V. (DE) | 2011-09-06 | — | — | US | disclosed |
| US-20090155562-A1 | Method for Producing Composite Materials | DEUTSCHES WOLLFORSCHUNGSINSTITUT AN DER RWTH AACHEN E.V. (DE) | 2009-06-18 | — | — | US | disclosed |