⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3076098 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31329690 | 0.97 | TDP1 (0.39) | — | |
| SCHEMBL44953 | 0.92 | TDP1 (0.43) | — | |
| SCHEMBL30413301 | 0.92 | TDP1 (0.41) | — | |
| SCHEMBL25746396 | 0.92 | TDP1 (0.41) | — | |
| SCHEMBL26439684 | 0.92 | TDP1 (0.41) | — | |
| SCHEMBL31048153 | 0.92 | TDP1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL25332416 | 0.90 | TDP1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL26094931 | 0.90 | TDP1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL25332412 | 0.90 | TDP1 (0.40) | — |
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-20250027123-A1 | Compositions, Systems, and Methods for Performing a Mannich Cyclization Reaction | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2025-01-23 | — | — | US | disclosed |
| US-10631516-B2 | Selection of symbiota by screening multiple host-symbiont associations | AGRICULTURE VICTORIA SERVICES PTY LTD (AU) | 2020-04-28 | — | — | US | disclosed |
| US-20170118943-A1 | Endophytes and related methods | AGRICULTURE VICTORIA SERVICES PTY LTD (AU) | 2017-05-04 | — | — | US | disclosed |