Sugi Predict

Sugi Predict / Compounds / SCHEMBL14657196

SCHEMBL14657196

SCHEMBL14657196

C=C(C)[C@@H]1CC[C@]2(CNCCC(=O)N3CCSCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL14657151 0.94 — —
SCHEMBL14658119 0.94 — —
SCHEMBL14657648 0.93 — —
SCHEMBL14657182 0.92 — —
SCHEMBL14658089 0.92 — —
SCHEMBL14657714 0.92 — —
SCHEMBL14657129 0.92 — —
SCHEMBL14657804 0.92 — —
SCHEMBL14657802 0.92 — —
SCHEMBL14666354 0.92 — —

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670764-B1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-02 — — EP disclosed
US-8748415-B2 C-28 amines of C-3 modified betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 — — US disclosed
US-8748415-B2 C-28 amines of C-3 modified betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 — — US disclosed
US-8748415-B2 C-28 amines of C-3 modified betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 — — US disclosed
US-20130029954-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 — — US disclosed
US-20130029954-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 — — US disclosed
US-20130029954-A1 C-28 AMINES OF C-3 MODIFIED BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 — — US disclosed