⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3508242 | 0.82 | — | — | |
| SCHEMBL1395808 | 0.82 | — | — | |
| SCHEMBL1395807 | 0.82 | — | — | |
| SCHEMBL9195610 | 0.76 | — | — | |
| SCHEMBL112636 | 0.76 | TDP1 (0.32) | — | |
| SCHEMBL9188488 | 0.73 | — | — | |
| SCHEMBL3125271 | 0.73 | TDP1 (0.30) | — | |
| SCHEMBL28227140 | 0.73 | TDP1 (0.30) | — | |
| SCHEMBL11852579 | 0.73 | TDP1 (0.30) | — | |
| SCHEMBL9009501 | 0.73 | TDP1 (0.30) | — |
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-0930073-B1 | Process for preparation of spermicidal agent | NAT RES DEV CORPORATIONOF INDI (IN) | 2004-08-04 | — | — | EP | disclosed |
| US-6333058-B1 | MIXING NEEM OIL WITH ALIPHATIC HYDROCARBON SOLVENT; FILTERING MIXTURE TO SEPARATE THE FILTRATE SOLUTION FROM PRECIPITATE; CONTACTING FILTRATE WITH POLAR EXTRACTANT SOLVENT TO EXTRACT SPERMICIDAL AGENT; REMOVING SOLVENT | NATIONAL RESEARCH DEVELOPMENT CORPORATION (IN) | 2001-12-25 | — | — | US | disclosed |
| EP-0930073-A1 | Process for preparation of spermicidal agent | National Research Development Corporation of India (IN) | 1999-07-21 | — | — | EP | disclosed |