⚠ 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 | |
|---|---|---|---|---|
| Trimethyl Phosphate SCHEMBL30586936 | 0.77 | TSHR (0.39) | — | |
| Trimethyl Phosphate SCHEMBL19941 | 0.76 | — | — | |
| Trimethyl Phosphate SCHEMBL4250452 | 0.72 | — | — | |
| Trimethyl Phosphate SCHEMBL298751 | 0.72 | — | — | |
| Trimethyl Phosphate SCHEMBL31346647 | 0.72 | — | — | |
| Trimethyl Phosphate SCHEMBL2356985 | 0.72 | — | — | |
| Trimethyl Phosphate SCHEMBL7705188 | 0.72 | — | — | |
| Trimethyl Phosphate SCHEMBL7624809 | 0.72 | — | — | |
| Trimethyl Phosphate SCHEMBL2356992 | 0.72 | — | — | |
| Trimethyl Phosphate SCHEMBL5191073 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-5256694-A | For skin disorders; carcinomas | BASF AKTIENGESELLSCHAFT (DE) | 1993-10-26 | — | — | US | disclosed |
| US-5126371-A | Precancerous skin conditions, acne, psoriasis | BASF AKTEINGESELLSCHAFT (DE) | 1992-06-30 | — | — | US | disclosed |
| US-4994489-A | Ester derivatives of diarylacetylenes, their compositions and their use in acne treatment | BASF AKTIENGESELLSCHAFT | 1991-02-19 | — | — | US | disclosed |
| EP-0176034-B1 | DIARYL ACETYLENES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1989-08-30 | — | — | EP | disclosed |
| US-4806558-A | Diarylacetylenes and their use in treating acne | BASF AKTIENGESELLSCHAFT (DE) | 1989-02-21 | — | — | US | disclosed |
| EP-0176034-A2 | Diaryl acetylenes, their preparation and use | BASF Aktiengesellschaft (DE) | 1986-04-02 | — | — | EP | disclosed |