⚠ 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL10910433 | 0.96 | CA14 (0.85) | — | |
| Phenol SCHEMBL7698697 | 0.96 | — | — | |
| Phenol SCHEMBL28317929 | 0.93 | CA14 (0.79) | — | |
| Phenol SCHEMBL602300 | 0.89 | — | — | |
| Phenol SCHEMBL7750141 | 0.89 | CA12 (1.00) | — | |
| Phenol SCHEMBL524026 | 0.89 | CA12 (1.00) | — | |
| Phenol SCHEMBL28575 | 0.89 | CA12 (1.00) | — | |
| Phenol SCHEMBL11067860 | 0.89 | CA12 (1.00) | — | |
| Phenol SCHEMBL8825085 | 0.89 | CA12 (1.00) | — | |
| Phenol SCHEMBL48 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11171893-A | — | — | None | — | — | JP | disclosed |
| JP-H11171893-A | PROTECTION OF FABRIC | CIBA SPECIALTY CHEM HOLDING INC | 1999-06-29 | — | — | JP | disclosed |