⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181409 | 0.81 | — | — | |
| Ethylene Glycol SCHEMBL29202248 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL29131063 | 0.78 | — | — | |
| Ethyne SCHEMBL11325685 | 0.75 | — | — | |
| SCHEMBL28984743 | 0.75 | — | — | |
| SCHEMBL15283499 | 0.75 | — | — | |
| 1,4-Butanediol SCHEMBL22260990 | 0.73 | SMN1; SMN2 (0.33) | — | |
| Formaldehyde SCHEMBL27673189 | 0.73 | — | — | |
| Ethylene Glycol SCHEMBL11263321 | 0.71 | TSHR (0.42) | — | |
| Ethylene Glycol SCHEMBL5715881 | 0.71 | TSHR (0.42) | — |
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-20160257776-A1 | METHOD FOR PRODUCING FLEXIBLE POLYURETHANE FOAM MATERIALS | COVESTRO DEUTSCHLAND AG (DE) | 2016-09-08 | — | — | US | disclosed |
| US-20140066535-A1 | METHOD FOR PRODUCING FLEXIBLE POLYURETHANE FOAM MATERIALS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-03-06 | — | — | US | disclosed |