⚠ 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 | 0.87 | — | — | |
| Ethylene Glycol SCHEMBL29202248 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL29131063 | 0.84 | — | — | |
| SCHEMBL28984743 | 0.81 | — | — | |
| Ethyne SCHEMBL11325685 | 0.81 | — | — | |
| SCHEMBL15283499 | 0.81 | — | — | |
| 1,4-Butanediol SCHEMBL22260990 | 0.79 | SMN1; SMN2 (0.33) | — | |
| Formaldehyde SCHEMBL27673189 | 0.79 | — | — | |
| SCHEMBL28421983 | 0.78 | — | — | |
| SCHEMBL15510458 | 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-4128672-A | Process of making a magnetic recording medium | BASF AKTIENGESELLSCHAFT (DE) | 1978-12-05 | — | — | US | disclosed |
| US-3993807-A | Activation of substrates for electroless metallization with zero valent palladium complex | BASF AKTIENGESELLSCHAFT (DT) | 1976-11-23 | — | — | US | disclosed |