⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7697005 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL7698667 | 0.74 | — | — | |
| SCHEMBL7698672 | 0.74 | — | — | |
| SCHEMBL7701671 | 0.74 | — | — | |
| SCHEMBL30040429 | 0.72 | HIF1A (0.36) | — | |
| SCHEMBL7702831 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL27785813 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL7698919 | 0.69 | FAAH (0.31) | — | |
| SCHEMBL7698924 | 0.69 | FAAH (0.31) | — | |
| SCHEMBL7704389 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1056716-B1 | CYCLOHEXANEDIOLE DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2002-12-11 | — | — | EP | disclosed |
| US-6184422-B1 | TREATMENT AND PREVENTION OF HYPERPROLIFERATIVE SKIN DISEASES; REVERSING CONDITIONS ASSOCIATED WITH PHOTODAMAGE; ANTITUMOR, -CARCINOGENIC AGENTS; PSORIASIS; DISORDERS OF NEOPLASTIC DISEASES; KERATINIZATION/KERATOSIS; ACNE; SEBORRHEA | HOFFMAN-LA ROCHE INC. | 2001-02-06 | — | — | US | disclosed |