⚠ 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 | |
|---|---|---|---|---|
| Catechol SCHEMBL11685119 | 1.00 | — | — | |
| Catechol SCHEMBL18351 | 0.95 | — | — | |
| Catechol SCHEMBL11672589 | 0.95 | ALDH1A1 (1.00) | — | |
| Catechol SCHEMBL30088487 | 0.95 | — | — | |
| Catechol SCHEMBL30944695 | 0.95 | ALDH1A1 (1.00) | — | |
| Catechol SCHEMBL367675 | 0.95 | ALDH1A1 (1.00) | — | |
| Catechol SCHEMBL29352716 | 0.95 | — | — | |
| Catechol SCHEMBL25313512 | 0.91 | — | — | |
| Catechol SCHEMBL22028465 | 0.91 | CA2 (0.91) | — | |
| Catechol SCHEMBL330099 | 0.91 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4011181-A | POLYURETHANE FOAMS CONTAINING STANNOUS CATECHOL DERIVATIVES | OLIN CORPORATION (US) | 1977-03-08 | — | — | US | claimed |
| US-4011181-A | POLYURETHANE FOAMS CONTAINING STANNOUS CATECHOL DERIVATIVES | OLIN CORPORATION (US) | 1977-03-08 | — | — | US | disclosed |
| US-4011181-A | POLYURETHANE FOAMS CONTAINING STANNOUS CATECHOL DERIVATIVES | OLIN CORPORATION (US) | 1977-03-08 | — | — | US | disclosed |
| US-4011181-A | POLYURETHANE FOAMS CONTAINING STANNOUS CATECHOL DERIVATIVES | OLIN CORPORATION (US) | 1977-03-08 | — | — | US | disclosed |
| US-3899520-A | Stannous catechol derivatives and process for preparing them | OLIN CORP | 1975-08-12 | — | — | US | disclosed |
| US-3899520-A | Stannous catechol derivatives and process for preparing them | OLIN CORP | 1975-08-12 | — | — | US | disclosed |