⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9307437 | 0.88 | L3MBTL1 (0.31) | — | |
| SCHEMBL6521263 | 0.69 | RHEB (0.32) | — | |
| SCHEMBL9306997 | 0.68 | MEN1 (0.42) | — | |
| SCHEMBL9304453 | 0.67 | — | — | |
| SCHEMBL9304127 | 0.66 | GRIN2D (0.31) | — | |
| Methylamine SCHEMBL10866957 | 0.64 | IDO1 (0.50) | — | |
| SCHEMBL6063468 | 0.64 | IDO1 (0.54) | — | |
| Ammonia Solution, Strong SCHEMBL10866535 | 0.63 | IDO1 (0.53) | — | |
| Diethylamine SCHEMBL10868570 | 0.61 | IDO1 (0.46) | — | |
| SCHEMBL14089951 | 0.60 | RXFP1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| US-4612049-A | BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID | CIBA-GEIGY CORPORATION (US) | 1986-09-16 | — | — | US | disclosed |