⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3621106 | 0.81 | — | — | |
| SCHEMBL28255560 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3636131 | 0.79 | — | — | |
| SCHEMBL902118 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL8534377 | 0.75 | USP2 (0.36) | — | |
| SCHEMBL445251 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL794227 | 0.73 | USP2 (0.34) | — | |
| SCHEMBL9718205 | 0.73 | CA12 (0.32) | — | |
| SCHEMBL26582187 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL10858084 | 0.73 | ALDH1A1 (0.35) | — |
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-4310632-A | POLYMERIZATION CATALYST OF A DIALKYLAMINO GUANIDINE, UREA OR THIOU | BASF AKTIENGESELLSCHAFT (DE) | 1982-01-12 | — | — | US | disclosed |
| EP-0033879-A2 | 1,3-Bis-(dialkylaminoalkyl) guanidines optionally substituted at the alkyl groups and process for their preparation | BASF Aktiengesellschaft (DE) | 1981-08-19 | — | — | EP | disclosed |