⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18068279 | 0.77 | — | — | |
| SCHEMBL5675800 | 0.77 | — | — | |
| SCHEMBL1920671 | 0.77 | — | — | |
| SCHEMBL1920670 | 0.77 | — | — | |
| SCHEMBL20976831 | 0.77 | DPP7 (0.50) | — | |
| Hydrochloric Acid SCHEMBL7476915 | 0.75 | — | — | |
| SCHEMBL6312197 | 0.75 | — | — | |
| SCHEMBL9059809 | 0.73 | — | — | |
| SCHEMBL11215506 | 0.73 | — | — | |
| SCHEMBL26695793 | 0.73 | NOS1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0046635-B1 | PROCESS FOR THE PREPARATION OF CIMETIDINE | ORION-YHTYMÄ OY (FI) | 1985-07-03 | — | — | EP | claimed |
| EP-0159519-A2 | Use of thio compounds for the prevention of hair fall-out caused by cytostatics | Asta-Werke Aktiengesellschaft Chemische Fabrik (DE) | 1985-10-30 | — | — | EP | disclosed |
| US-4347310-A | INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1982-08-31 | — | — | US | disclosed |